| SpectraBase Compound ID | 4WL4PBzCDyI |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-11(2)9-14(17)16-13(15(18)19-3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17) |
| InChIKey | ISJVRGWTEXYFJC-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qg2iCKCnhf |
|---|---|
| Name | Phenylalanine, N-isovaleryl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.152143537 u |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-11(2)9-14(17)16-13(15(18)19-3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17) |
| InChIKey | ISJVRGWTEXYFJC-UHFFFAOYSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | C(=O)(NC(C(OC)=O)CC=1C=CC=CC1)CC(C)C |