CAS No.: 103-16-2 — Monobenzone (莫诺苯宗)

1. Primary Information

English name:	Monobenzone
CAS No.:	103-16-2
Molecular formula:	C₁₃H₁₂O₂
Molecular weight:	200.23 g/mol
SMILES:	C1=CC=C(C=C1)COC2=CC=C(C=C2)O
Structural class:
Other identifiers:	agerite alba Benoquin hydroquinone monobenzyl ether monobenzone monobenzyl ether hydroquinone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	120	RT	in stock	-
Kehua Intelligence	5g	98%	24	RT	in stock	-
Kehua Intelligence	25g	98%	72	RT	in stock	-
Kehua Intelligence	100g	98%	192	RT	in stock	-
Kehua Intelligence	500g	98%	760	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 0 0 0 0 0 0999 V2000 0.0283 -0.4458 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 0.2353 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 0.3639 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 0.7332 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -0.2768 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 0.1018 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 0.2800 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 1.0052 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -1.3886 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -0.2439 -1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 -0.0658 1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -0.3277 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 1.1777 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -1.2159 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 0.0674 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 1.4013 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.2723 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 0.1611 -2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3374 0.4790 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 1.9130 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -2.3894 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7901 -0.4485 -2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 -0.1319 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 2.1821 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 -2.0848 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9605 -0.5972 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.1860 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-phenylmethoxyphenol

4.2 InChI

InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2

4.3 InChIKey

VYQNWZOUAUKGHI-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)