| SpectraBase Compound ID | C2qPpsmQGIY |
|---|---|
| InChI | InChI=1S/C20H33NO2/c1-16(2)12-14-21-19(20(22)23-15-13-17(3)4)11-10-18-8-6-5-7-9-18/h5-9,16-17,19,21H,10-15H2,1-4H3 |
| InChIKey | TYJJNFGQKWZWFH-UHFFFAOYSA-N |
| Mol Weight | 319.5 g/mol |
| Molecular Formula | C20H33NO2 |
| Exact Mass | 319.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x7SB4YzEIP |
|---|---|
| Name | L-Homophenylalanine, N-(3-methylbutyl)-, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.251129305 u |
| Formula | C20H33NO2 |
| InChI | InChI=1S/C20H33NO2/c1-16(2)12-14-21-19(20(22)23-15-13-17(3)4)11-10-18-8-6-5-7-9-18/h5-9,16-17,19,21H,10-15H2,1-4H3 |
| InChIKey | TYJJNFGQKWZWFH-UHFFFAOYSA-N |
| Molecular Weight | 319.489 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(NCCC(C)C)C(=O)OCCC(C)C |