| SpectraBase Compound ID | JWY9idL3wFG |
|---|---|
| InChI | InChI=1S/C10H13NO3S/c1-2-14-9(12)5-6-11-10(13)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,13) |
| InChIKey | CHUSYYGICOPRMO-UHFFFAOYSA-N |
| Mol Weight | 227.28 g/mol |
| Molecular Formula | C10H13NO3S |
| Exact Mass | 227.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8pgCsIN1Za |
|---|---|
| Name | .beta.-Alanine, N-(thiophene-2-carbonyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.061614454 u |
| Formula | C10H13NO3S |
| InChI | InChI=1S/C10H13NO3S/c1-2-14-9(12)5-6-11-10(13)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,13) |
| InChIKey | CHUSYYGICOPRMO-UHFFFAOYSA-N |
| Molecular Weight | 227.278 g/mol |
| SMILES | CCOC(CCNC(C=1SC=CC1)=O)=O |