| SpectraBase Spectrum ID |
6JvEHdd3Kje |
| Name |
Thioglycolic acid, S-(N-propyloxycarbonyl)-, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.076930165 u |
| Formula |
C9H16O4S |
| InChI |
InChI=1S/C9H16O4S/c1-3-5-12-8(10)7-14-9(11)13-6-4-2/h3-7H2,1-2H3 |
| InChIKey |
BNOPUUARNUUFPA-UHFFFAOYSA-N |
| Molecular Weight |
220.283 g/mol |
| SMILES |
C(SC(OCCC)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971264 |
