CAS No.: 2128-93-0 — 4-Benzoylbiphenyl (4-苯基二苯酮)

1. Primary Information

English name:	4-Benzoylbiphenyl
CAS No.:	2128-93-0
Molecular formula:	C₁₉H₁₄O
Molecular weight:	258.3 g/mol
SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	98%	28	RT	in stock	-
Kehua Intelligence	100g	98%	64	RT	in stock	-
Kehua Intelligence	500g	98%	256	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 36 0 0 0 0 0 0 0999 V2000 2.6326 2.4095 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 0.2498 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 0.8901 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2691 -0.0828 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 0.4104 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.4092 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 0.7307 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 0.7294 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 1.2237 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6701 -1.4189 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 0.9323 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9651 -1.1438 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 0.5845 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0275 -1.7398 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.6113 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9841 -0.7248 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -2.1186 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6511 -0.3902 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 -1.7418 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 0.2895 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 0.2874 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 0.8537 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 0.8513 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 -2.2227 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9307 1.9790 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 -1.4753 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 1.6296 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3397 -2.7800 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3283 1.4016 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0410 -0.9746 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -3.1711 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.0973 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0828 -2.5007 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 8 2 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 19 2 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

phenyl-(4-phenylphenyl)methanone

4.2 InChI

InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H

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)