| SpectraBase Spectrum ID |
EzMC6jcQZUW |
| Name |
2-(Benzylthio)benzoic acid |
| Alternate Name(s) |
2-(phenylmethylthio)benzoic acid
2-benzylsulfanylbenzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12O2S |
| InChI |
InChI=1S/C14H12O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) |
| InChIKey |
IQMZULGMADGDLC-UHFFFAOYSA-N |
| Molecular Weight |
244.308 g/mol |
| SMILES |
OC(c1c(SCc2ccccc2)cccc1)=O |
| SPLASH |
splash10-0006-9010000000-45e7953cd03b516ba22a |
| Source of Spectrum |
F-67-5276-7a |
| Wiley ID |
1686934 |
