| SpectraBase Spectrum ID |
1GYs19A0vLa |
| Name |
4-cyanobenzenecarbothioic acid S-octyl ester |
| Alternate Name(s) |
4-cyanothiobenzoic acid S-octyl ester
S-octyl 4-cyanobenzenecarbothioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NOS |
| InChI |
InChI=1S/C16H21NOS/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11H,2-7,12H2,1H3 |
| InChIKey |
DDPNNFAKIXYNHA-UHFFFAOYSA-N |
| Molecular Weight |
275.410 g/mol |
| SMILES |
C(c1ccc(C#N)cc1)(=O)SCCCCCCCC |
| SPLASH |
splash10-001i-0900000000-fd952557c58bd58bba5b |
| Source of Spectrum |
F-70-3146-10 |
| Wiley ID |
1596680 |
