| SpectraBase Spectrum ID |
B7uQgU8Nwoo |
| Name |
Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.092914582 u |
| Formula |
C9H17NO3S |
| InChI |
InChI=1S/C9H17NO3S/c1-7(9(12)13-3)6-14-5-4-10-8(2)11/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m1/s1 |
| InChIKey |
UWYLCACGLRHRLM-SSDOTTSWSA-N |
| Molecular Weight |
219.299 g/mol |
| SMILES |
C([C@@](CSCCNC(=O)C)(C)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967246 |
![Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)-](/api/spectrum/B7uQgU8Nwoo/structure.png?h=300&w=458 "Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)-")
