| SpectraBase Compound ID | D4uHKC9fT3i |
|---|---|
| InChI | InChI=1S/C19H31NO2/c1-4-14-20(15-5-2)18(19(21)22-16-6-3)13-12-17-10-8-7-9-11-17/h7-11,18H,4-6,12-16H2,1-3H3 |
| InChIKey | BAZIXVYBHVFNHE-UHFFFAOYSA-N |
| Mol Weight | 305.46 g/mol |
| Molecular Formula | C19H31NO2 |
| Exact Mass | 305.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8J95lHpjiNq |
|---|---|
| Name | L-Homophenylalanine, N,N-bis(N-propyl)-, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.235479240 u |
| Formula | C19H31NO2 |
| InChI | InChI=1S/C19H31NO2/c1-4-14-20(15-5-2)18(19(21)22-16-6-3)13-12-17-10-8-7-9-11-17/h7-11,18H,4-6,12-16H2,1-3H3 |
| InChIKey | BAZIXVYBHVFNHE-UHFFFAOYSA-N |
| Molecular Weight | 305.462 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(N(CCC)CCC)C(=O)OCCC |