![Thiophene, 5-[(.beta.-carboxypropionamido)methyl]-](/api/spectrum/L7G15JFGmOP/structure.png?h=300&w=458 "Thiophene, 5-[(.beta.-carboxypropionamido)methyl]-")
| SpectraBase Compound ID | 9w0peKgENiz |
|---|---|
| InChI | InChI=1S/C9H11NO3S/c11-8(3-4-9(12)13)10-6-7-2-1-5-14-7/h1-2,5H,3-4,6H2,(H,10,11)(H,12,13) |
| InChIKey | VAKOIYUDXVCKOV-UHFFFAOYSA-N |
| Mol Weight | 213.25 g/mol |
| Molecular Formula | C9H11NO3S |
| Exact Mass | 213.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7G15JFGmOP |
|---|---|
| Name | Thiophene, 5-[(.beta.-carboxypropionamido)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.045964389 u |
| Formula | C9H11NO3S |
| InChI | InChI=1S/C9H11NO3S/c11-8(3-4-9(12)13)10-6-7-2-1-5-14-7/h1-2,5H,3-4,6H2,(H,10,11)(H,12,13) |
| InChIKey | VAKOIYUDXVCKOV-UHFFFAOYSA-N |
| Molecular Weight | 213.251 g/mol |
| SMILES | C=1SC(=CC1)CNC(=O)CCC(O)=O |