| SpectraBase Compound ID | 3uwHX3yPMd9 |
|---|---|
| InChI | InChI=1S/C22H37NO2/c1-4-7-17-23(18-8-5-2)21(22(24)25-19-9-6-3)16-15-20-13-11-10-12-14-20/h10-14,21H,4-9,15-19H2,1-3H3 |
| InChIKey | FZKJWZQYLUUHLG-UHFFFAOYSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C22H37NO2 |
| Exact Mass | 347.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmAcTIzw8DW |
|---|---|
| Name | L-Homophenylalanine, N,N-bis(N-butyl)-, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.282429433 u |
| Formula | C22H37NO2 |
| InChI | InChI=1S/C22H37NO2/c1-4-7-17-23(18-8-5-2)21(22(24)25-19-9-6-3)16-15-20-13-11-10-12-14-20/h10-14,21H,4-9,15-19H2,1-3H3 |
| InChIKey | FZKJWZQYLUUHLG-UHFFFAOYSA-N |
| Molecular Weight | 347.543 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(N(CCCC)CCCC)C(=O)OCCCC |