| SpectraBase Compound ID | JG1zZqFrPk0 |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-5-6-9-17-10-12-18(13-11-17)19(22)21-16(4)20(23)24-14-7-8-15(2)3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22) |
| InChIKey | FATRVLFVVZDRLX-UHFFFAOYSA-N |
| Mol Weight | 333.47 g/mol |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ia4dSxTWaO |
|---|---|
| Name | L-Alanine, N-(4-butylbenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.230393859 u |
| Formula | C20H31NO3 |
| InChI | InChI=1S/C20H31NO3/c1-5-6-9-17-10-12-18(13-11-17)19(22)21-16(4)20(23)24-14-7-8-15(2)3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22) |
| InChIKey | FATRVLFVVZDRLX-UHFFFAOYSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(OCCCC(C)C)=O)C)=O)CCCC |