CAS No.: 191-07-1 — Coronene (晕苯)

1. Primary Information

English name:	Coronene
CAS No.:	191-07-1
Molecular formula:	C₂₄H₁₂
Molecular weight:	300.4 g/mol
SMILES:	C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
Structural class:
Other identifiers:	coronene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	特纯，95%	115	RT	in stock	-
Kehua Intelligence	250mg	特纯，95%	166	RT	in stock	-
Kehua Intelligence	500mg	特纯，95%	307	RT	in stock	-
Kehua Intelligence	1g	特纯，95%	473	RT	in stock	-
Kehua Intelligence	5g	特纯，95%	1792	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 42 0 0 0 0 0 0 0999 V2000 -0.5083 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 -1.1001 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3972 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 0.2198 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 -2.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -0.4393 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 0.4392 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 2.1990 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 2.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 -3.5001 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 -3.7169 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 1.7530 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 3.5001 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6599 0.6615 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 2.8386 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -1.7530 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 3.7170 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 -0.6615 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8165 -3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -4.3616 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -4.7409 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 3.8450 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 4.3616 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 -1.9462 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 2.7949 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 1.9461 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7383 0.5167 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 4.7410 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 -0.5167 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 13 21 2 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 28 1 0 0 0 0 20 31 1 0 0 0 0 21 30 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

coronene

4.2 InChI

InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)