| SpectraBase Compound ID | LZSAugDoYIt |
|---|---|
| InChI | InChI=1S/C18H29NO2/c1-4-6-13-19-18(3,17(20)21-14-7-5-2)15-16-11-9-8-10-12-16/h8-12,19H,4-7,13-15H2,1-3H3 |
| InChIKey | YAQWHQGLTPCPIE-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 | Ajlyw2exflZ |
|---|---|
| Name | Phenylalanine, dl, .alpha.-methyl-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/c1-4-6-13-19-18(3,17(20)21-14-7-5-2)15-16-11-9-8-10-12-16/h8-12,19H,4-7,13-15H2,1-3H3 |
| InChIKey | YAQWHQGLTPCPIE-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CC(C)(NCCCC)C(=O)OCCCC |