| SpectraBase Compound ID | Kjp86eeYmBh |
|---|---|
| InChI | InChI=1S/C19H31NO3S/c1-2-3-4-5-6-7-8-9-10-15-23-18(21)13-14-20-19(22)17-12-11-16-24-17/h11-12,16H,2-10,13-15H2,1H3,(H,20,22) |
| InChIKey | PPNHLIUVWDYZDF-UHFFFAOYSA-N |
| Mol Weight | 353.52 g/mol |
| Molecular Formula | C19H31NO3S |
| Exact Mass | 353.202465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiBLEjCDVTc |
|---|---|
| Name | .beta.-Alanine, N-(thiophene-2-carbonyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.202465033 u |
| Formula | C19H31NO3S |
| InChI | InChI=1S/C19H31NO3S/c1-2-3-4-5-6-7-8-9-10-15-23-18(21)13-14-20-19(22)17-12-11-16-24-17/h11-12,16H,2-10,13-15H2,1H3,(H,20,22) |
| InChIKey | PPNHLIUVWDYZDF-UHFFFAOYSA-N |
| Molecular Weight | 353.521 g/mol |
| SMILES | CCCCCCCCCCCOC(CCNC(C=1SC=CC1)=O)=O |