| SpectraBase Compound ID | JfwCDJ5mmrI |
|---|---|
| InChI | InChI=1S/C18H29NO3S/c1-3-4-5-6-7-8-9-12-22-18(21)15(2)19-17(20)14-16-11-10-13-23-16/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,19,20) |
| InChIKey | JXLLIQORMKKAQQ-UHFFFAOYSA-N |
| Mol Weight | 339.49 g/mol |
| Molecular Formula | C18H29NO3S |
| Exact Mass | 339.186815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wLmJY67KKx |
|---|---|
| Name | L-Alanine, N-(2-thienylacetyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.186814969 u |
| Formula | C18H29NO3S |
| InChI | InChI=1S/C18H29NO3S/c1-3-4-5-6-7-8-9-12-22-18(21)15(2)19-17(20)14-16-11-10-13-23-16/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,19,20) |
| InChIKey | JXLLIQORMKKAQQ-UHFFFAOYSA-N |
| Molecular Weight | 339.494 g/mol |
| SMILES | CC(NC(CC=1SC=CC1)=O)C(OCCCCCCCCC)=O |