| SpectraBase Compound ID | ABpoXTJ1ROX |
|---|---|
| InChI | InChI=1S/C15H23NO3S/c1-2-3-4-5-6-11-19-14(17)9-10-16-15(18)13-8-7-12-20-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,18) |
| InChIKey | VBTPZICVVMMEKL-UHFFFAOYSA-N |
| Mol Weight | 297.41 g/mol |
| Molecular Formula | C15H23NO3S |
| Exact Mass | 297.139865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzmVgl2egaV |
|---|---|
| Name | .beta.-Alanine, N-(thiophene-2-carbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.139864776 u |
| Formula | C15H23NO3S |
| InChI | InChI=1S/C15H23NO3S/c1-2-3-4-5-6-11-19-14(17)9-10-16-15(18)13-8-7-12-20-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,18) |
| InChIKey | VBTPZICVVMMEKL-UHFFFAOYSA-N |
| SMILES | CCCCCCCOC(CCNC(C=1SC=CC1)=O)=O |