![Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)-](/api/spectrum/4hb52n3ZHew/structure.png?h=300&w=458 "Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)-")
| SpectraBase Compound ID | 1S2imjicLYM |
|---|---|
| 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 |
| Mol Weight | 219.3 g/mol |
| Molecular Formula | C9H17NO3S |
| Exact Mass | 219.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hb52n3ZHew |
|---|---|
| Name | Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| 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 |