| SpectraBase Compound ID | HA7dokMKBKK |
|---|---|
| InChI | InChI=1S/C17H17NO4/c19-17(9-5-4-8-14-6-2-1-3-7-14)22-16-12-10-15(11-13-16)18(20)21/h1-3,6-7,10-13H,4-5,8-9H2 |
| InChIKey | ZYOACALDCIBHLM-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C17H17NO4 |
| Exact Mass | 299.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88VckmeIJQ7 |
|---|---|
| Name | 5-Phenylvaleric acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.115758027 u |
| Formula | C17H17NO4 |
| InChI | InChI=1S/C17H17NO4/c19-17(9-5-4-8-14-6-2-1-3-7-14)22-16-12-10-15(11-13-16)18(20)21/h1-3,6-7,10-13H,4-5,8-9H2 |
| InChIKey | ZYOACALDCIBHLM-UHFFFAOYSA-N |
| SMILES | C(CCC(OC1=CC=C(C=C1)N(=O)=O)=O)CC=1C=CC=CC1 |