| SpectraBase Compound ID | ASVyyAkgyWY |
|---|---|
| InChI | InChI=1S/C14H21NO3S/c1-2-3-4-5-10-18-13(16)8-9-15-14(17)12-7-6-11-19-12/h6-7,11H,2-5,8-10H2,1H3,(H,15,17) |
| InChIKey | YUQVKOSQAJLICZ-UHFFFAOYSA-N |
| Mol Weight | 283.39 g/mol |
| Molecular Formula | C14H21NO3S |
| Exact Mass | 283.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CLSDDOONk8j |
|---|---|
| Name | .beta.-Alanine, N-(thiophene-2-carbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.124214711 u |
| Formula | C14H21NO3S |
| InChI | InChI=1S/C14H21NO3S/c1-2-3-4-5-10-18-13(16)8-9-15-14(17)12-7-6-11-19-12/h6-7,11H,2-5,8-10H2,1H3,(H,15,17) |
| InChIKey | YUQVKOSQAJLICZ-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(CCNC(C=1SC=CC1)=O)=O |