| SpectraBase Compound ID | JqvtRa7Yy5h |
|---|---|
| InChI | InChI=1S/C22H35NO3/c1-4-6-7-8-9-10-11-12-17-26-22(25)18(3)23-21(24)20-15-13-19(5-2)14-16-20/h13-16,18H,4-12,17H2,1-3H3,(H,23,24) |
| InChIKey | CGYHOQUMOMWVQF-UHFFFAOYSA-N |
| Mol Weight | 361.5 g/mol |
| Molecular Formula | C22H35NO3 |
| Exact Mass | 361.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiXNppfEU6k |
|---|---|
| Name | L-Alanine, N-(4-ethylbenzoyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.261693988 u |
| Formula | C22H35NO3 |
| InChI | InChI=1S/C22H35NO3/c1-4-6-7-8-9-10-11-12-17-26-22(25)18(3)23-21(24)20-15-13-19(5-2)14-16-20/h13-16,18H,4-12,17H2,1-3H3,(H,23,24) |
| InChIKey | CGYHOQUMOMWVQF-UHFFFAOYSA-N |
| Molecular Weight | 361.526 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(OCCCCCCCCCC)=O)C)=O)CC |