| SpectraBase Compound ID | GtoemL9pIEs |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-11(2)7-8-21-14-5-3-12(4-6-14)13(9-15(17)18)10-16(19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,17,18)(H,19,20) |
| InChIKey | QZFXAOHLKWXQTL-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbSxI5siWnD |
|---|---|
| Name | 5-Amino-3-(4-isoamoxyphenyl)-5-keto-valeric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-11(2)7-8-21-14-5-3-12(4-6-14)13(9-15(17)18)10-16(19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,17,18)(H,19,20) |
| InChIKey | QZFXAOHLKWXQTL-UHFFFAOYSA-N |
| SMILES | C(CC(=O)N)(CC(=O)O)C=1C=CC(=CC1)OCCC(C)C |