| SpectraBase Spectrum ID |
JFpC3pA9V7Q |
| Name |
4-Methylthiobenzyl butyrate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
224.087100927 u |
| Formula |
C12H16O2S |
| InChI |
InChI=1S/C12H16O2S/c1-3-4-12(13)14-9-10-5-7-11(15-2)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
MHWONJKXVCXSRJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.318 g/mol |
| Nominal Mass |
224 u |
| Quality |
994 |
| Retention Index |
1765 |
| SMILES |
C1(=CC=C(C=C1)SC)COC(CCC)=O |
| SPLASH |
splash10-0079-6900000000-c434eba94a8d931a6cb9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylthiobenzyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004510 |
