| SpectraBase Compound ID | CxIbyVAKpo3 |
|---|---|
| InChI | InChI=1S/C18H29NO2/c1-3-5-14-19-17(18(20)21-15-6-4-2)13-12-16-10-8-7-9-11-16/h7-11,17,19H,3-6,12-15H2,1-2H3 |
| InChIKey | CDFXTSVMKQCXFR-UHFFFAOYSA-N |
| Mol Weight | 291.44 g/mol |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhzQOmeRGDf |
|---|---|
| Name | L-Homophenylalanine, N-(N-butyl)-, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.219829176 u |
| Formula | C18H29NO2 |
| InChI | InChI=1S/C18H29NO2/c1-3-5-14-19-17(18(20)21-15-6-4-2)13-12-16-10-8-7-9-11-16/h7-11,17,19H,3-6,12-15H2,1-2H3 |
| InChIKey | CDFXTSVMKQCXFR-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)CCC(NCCCC)C(=O)OCCCC |