| SpectraBase Spectrum ID |
1GjqA9qBqC |
| Name |
Benzenepropenedithioic acid, 4-bromo-.beta.-hydroxy-, 3-cyanopropyl ester |
| Alternate Name(s) |
3-Cyanopropyl (2Z)-3-(4-bromophenyl)-3-hydroxy-2-propenedithioate |
| CAS Registry Number |
72347-61-6 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12BrNOS2 |
| InChI |
InChI=1S/C13H12BrNOS2/c14-11-5-3-10(4-6-11)12(16)9-13(17)18-8-2-1-7-15/h3-6,9,16H,1-2,8H2/b12-9- |
| InChIKey |
WPWHPSBZWJZZJP-XFXZXTDPSA-N |
| Molecular Weight |
342.269 g/mol |
| SMILES |
O\C(c1ccc(Br)cc1)=C/C(SCCCC#N)=S |
| SPLASH |
splash10-0016-5940000000-1a87c379497c3c7a8959 |
| Source of Spectrum |
F-28-5350-8 |
| Wiley ID |
1335728 |
