| SpectraBase Compound ID | 7g5oBPJYCQm |
|---|---|
| InChI | InChI=1S/C16H25NO3S/c1-3-4-5-6-7-8-11-20-16(19)13(2)17-15(18)14-10-9-12-21-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,18) |
| InChIKey | SRBXMIFNJZKUTO-UHFFFAOYSA-N |
| Mol Weight | 311.44 g/mol |
| Molecular Formula | C16H25NO3S |
| Exact Mass | 311.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MzpB4tz3pS |
|---|---|
| Name | L-Alanine, N-(2-thienylcarbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.155514840 u |
| Formula | C16H25NO3S |
| InChI | InChI=1S/C16H25NO3S/c1-3-4-5-6-7-8-11-20-16(19)13(2)17-15(18)14-10-9-12-21-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,18) |
| InChIKey | SRBXMIFNJZKUTO-UHFFFAOYSA-N |
| Molecular Weight | 311.440 g/mol |
| SMILES | CCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O |