| SpectraBase Spectrum ID |
Bw9ro5GBphR |
| Name |
Benzenecarbothioic acid, S-(3-cyano-2-propenyl) ester, (E)- |
| Alternate Name(s) |
S-3-cyanoprop-2-enyl thiobenzoate(E)
S-[(2E)-3-cyano-2-propenyl]benzenecarbothioate |
| CAS Registry Number |
117157-19-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9NOS |
| InChI |
InChI=1S/C11H9NOS/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-7H,9H2/b5-4+ |
| InChIKey |
JPULUUTXQBONNH-SNAWJCMRSA-N |
| Molecular Weight |
203.259 g/mol |
| SMILES |
C(#N)\C=C\CSC(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-b2df651e82d6609e87cd |
| Source of Spectrum |
KC-1988-580-5 |
| Wiley ID |
1200733 |
