SpectraBase Spectrum ID |
2luRvjb5siu |
Name |
4-Methylthiobenzylpropionate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
210.071450863 u |
Formula |
C11H14O2S |
InChI |
InChI=1S/C11H14O2S/c1-3-11(12)13-8-9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3 |
InChIKey |
HAHFFAFTJOFZHD-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
210.291 g/mol |
Nominal Mass |
210 u |
Quality |
992 |
Retention Index |
1682 |
SMILES |
C1(=CC=C(C=C1)SC)COC(CC)=O |
SPLASH |
splash10-000i-5900000000-09a5f7821983dbe70733 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
4-methylthiobenzyl propanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_004509 |