| SpectraBase Spectrum ID |
9vxo4LIY8eM |
| Name |
[2'-(Cyanothio)phenyl]acetic acid |
| Alternate Name(s) |
[2'-(Thiocyano)phenyl]acetic acid
[2-(cyanosulfanyl)phenyl]acetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H7NO2S |
| InChI |
InChI=1S/C9H7NO2S/c10-6-13-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey |
QNJGLRBOVZZNKV-UHFFFAOYSA-N |
| Molecular Weight |
193.220 g/mol |
| SMILES |
OC(Cc1c(SC#N)cccc1)=O |
| SPLASH |
splash10-0006-0900000000-8995e5a61f550c3d42eb |
| Source of Spectrum |
D8-325-310-12 |
| Wiley ID |
1514401 |
![[2'-(Cyanothio)phenyl]acetic acid](/api/spectrum/9vxo4LIY8eM/structure.png?h=300&w=458 "[2'-(Cyanothio)phenyl]acetic acid")
