| SpectraBase Compound ID | DXMUxvvOCa3 |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-5-10-20-16(19)14(11(2)3)17-15(18)13-8-6-12(4)7-9-13/h6-9,11,14H,5,10H2,1-4H3,(H,17,18) |
| InChIKey | FDJPADAZDGHMDT-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITPhn0nRmHS |
|---|---|
| Name | L-Valine, N-(4-methylbenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-5-10-20-16(19)14(11(2)3)17-15(18)13-8-6-12(4)7-9-13/h6-9,11,14H,5,10H2,1-4H3,(H,17,18) |
| InChIKey | FDJPADAZDGHMDT-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(NC(C(C)C)C(=O)OCCC)=O)C |