| SpectraBase Spectrum ID |
HDqA4XuOwgF |
| Name |
Acetic acid, (acetonylthio)-, methyl ester; acetic acid, [(2-oxopropyl)thio]-, methyl ester; methyl 5-oxo-3-thiahexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
162.035065353 u |
| Formula |
C6H10O3S |
| InChI |
InChI=1S/C6H10O3S/c1-5(7)3-10-4-6(8)9-2/h3-4H2,1-2H3 |
| InChIKey |
BMYZBKVJSRJYEY-UHFFFAOYSA-N |
| Molecular Weight |
162.203 g/mol |
| SMILES |
CC(CSCC(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.944438 |
![Acetic acid, (acetonylthio)-, methyl ester; acetic acid, [(2-oxopropyl)thio]-, methyl ester; methyl 5-oxo-3-thiahexanoate](/api/spectrum/HDqA4XuOwgF/structure.png?h=300&w=458 "Acetic acid, (acetonylthio)-, methyl ester; acetic acid, [(2-oxopropyl)thio]-, methyl ester; methyl 5-oxo-3-thiahexanoate")
