| SpectraBase Compound ID | HmQQNBGVTjG |
|---|---|
| InChI | InChI=1S/C18H29NO3S/c1-3-4-5-6-7-8-9-10-13-22-18(21)15(2)19-17(20)16-12-11-14-23-16/h11-12,14-15H,3-10,13H2,1-2H3,(H,19,20) |
| InChIKey | IUQKSXGVTXNIOA-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 | Anq5KGiSZwG |
|---|---|
| Name | L-Alanine, N-(2-thienylcarbonyl)-, decyl 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/c1-3-4-5-6-7-8-9-10-13-22-18(21)15(2)19-17(20)16-12-11-14-23-16/h11-12,14-15H,3-10,13H2,1-2H3,(H,19,20) |
| InChIKey | IUQKSXGVTXNIOA-UHFFFAOYSA-N |
| Molecular Weight | 339.494 g/mol |
| SMILES | CCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O |