| SpectraBase Compound ID | KmsB4Mlg5b0 |
|---|---|
| InChI | InChI=1S/C16H25NO2/c1-3-12-17-15(16(18)19-13-4-2)11-10-14-8-6-5-7-9-14/h5-9,15,17H,3-4,10-13H2,1-2H3 |
| InChIKey | KRVIGEJWEIAZAE-UHFFFAOYSA-N |
| Mol Weight | 263.38 g/mol |
| Molecular Formula | C16H25NO2 |
| Exact Mass | 263.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eu16iT5f0xH |
|---|---|
| Name | L-Homophenylalanine, N-(N-propyl)-, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.188529047 u |
| Formula | C16H25NO2 |
| InChI | InChI=1S/C16H25NO2/c1-3-12-17-15(16(18)19-13-4-2)11-10-14-8-6-5-7-9-14/h5-9,15,17H,3-4,10-13H2,1-2H3 |
| InChIKey | KRVIGEJWEIAZAE-UHFFFAOYSA-N |
| Molecular Weight | 263.381 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(NCCC)C(=O)OCCC |