| SpectraBase Compound ID | AH5IWqYFDzB |
|---|---|
| InChI | InChI=1S/C17H27NO3S/c1-2-3-4-5-6-7-8-13-21-16(19)11-12-18-17(20)15-10-9-14-22-15/h9-10,14H,2-8,11-13H2,1H3,(H,18,20) |
| InChIKey | DIYJZQYVSLXPKI-UHFFFAOYSA-N |
| Mol Weight | 325.47 g/mol |
| Molecular Formula | C17H27NO3S |
| Exact Mass | 325.171165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dn0xh6FUMEa |
|---|---|
| Name | .beta.-Alanine, N-(thiophene-2-carbonyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.171164904 u |
| Formula | C17H27NO3S |
| InChI | InChI=1S/C17H27NO3S/c1-2-3-4-5-6-7-8-13-21-16(19)11-12-18-17(20)15-10-9-14-22-15/h9-10,14H,2-8,11-13H2,1H3,(H,18,20) |
| InChIKey | DIYJZQYVSLXPKI-UHFFFAOYSA-N |
| Molecular Weight | 325.467 g/mol |
| SMILES | CCCCCCCCCOC(CCNC(C=1SC=CC1)=O)=O |