| SpectraBase Spectrum ID |
I65sDJcy3Jw |
| Name |
Benzoic acid, 2-(methyl-D3-thio)- |
| Alternate Name(s) |
ortho-(Trideuteromethylthio)benzoic acid |
| CAS Registry Number |
101233-42-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H5D3O2S |
| InChI |
InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/i1D3 |
| InChIKey |
LWJQGKJCZOGGPJ-FIBGUPNXSA-N |
| Molecular Weight |
171.228 g/mol |
| SMILES |
OC(c1c(SC([D])([D])[D])cccc1)=O |
| SPLASH |
splash10-00di-4900000000-5feab578982eb76174d5 |
| Source of Spectrum |
O-20-543-2 |
| Wiley ID |
1164067 |
