CAS No.: 118-55-8 — Phenyl salicylate (水杨酸苯酯)

1. Primary Information

English name:	Phenyl salicylate
CAS No.:	118-55-8
Molecular formula:	C₁₃H₁₀O₃
Molecular weight:	214.22 g/mol
SMILES:	C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Structural class:
Other identifiers:	phenyl salicylate salol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250g	CP	72	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 0.5798 0.6452 0.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 -2.2579 -0.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 -1.2638 -0.9133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 0.0531 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -0.9445 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 1.3916 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 0.3859 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 -0.2810 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 -0.6034 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3535 1.7326 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 0.7351 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 0.9325 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -0.4064 1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 0.6728 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 -0.6658 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6393 -0.1261 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2795 2.1939 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7304 -1.3699 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 2.7750 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3724 1.0009 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 1.5548 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -0.8259 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5426 1.0930 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4343 -1.2880 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -0.3281 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 -2.8002 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 26 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

phenyl 2-hydroxybenzoate

4.2 InChI

InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H

4.3 InChIKey

ZQBAKBUEJOMQEX-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

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)