| SpectraBase Spectrum ID |
327b7RK9WkE |
| Name |
Benzenecarbothioic acid, S-(3-hydroxy-1-propenyl) ester, (E)- |
| Alternate Name(s) |
S-3-hydroxyprop-1-enyl thiobenzoate
S-[(1E)-3-hydroxy-1-propenyl]benzenecarbothioate |
| CAS Registry Number |
117157-12-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10O2S |
| InChI |
InChI=1S/C10H10O2S/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-6,8,11H,7H2/b8-4+ |
| InChIKey |
DDTINVCFLAUEFL-XBXARRHUSA-N |
| Molecular Weight |
194.248 g/mol |
| SMILES |
OC\C=C\SC(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-7718f241d5f7b722adc9 |
| Source of Spectrum |
KC-1988-580-4 |
| Wiley ID |
1190326 |
