| SpectraBase Compound ID | CruANFOqgDg |
|---|---|
| InChI | InChI=1S/C16H15NO4/c18-16(14-8-10-15(11-9-14)17(19)20)21-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | DYVRFDVXTWHFPA-UHFFFAOYSA-N |
| Mol Weight | 285.3 g/mol |
| Molecular Formula | C16H15NO4 |
| Exact Mass | 285.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5p8esiuak5w |
|---|---|
| Name | 4-Nitrobenzoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.100107963 u |
| Formula | C16H15NO4 |
| InChI | InChI=1S/C16H15NO4/c18-16(14-8-10-15(11-9-14)17(19)20)21-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2 |
| InChIKey | DYVRFDVXTWHFPA-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CCCOC(C=1C=CC(N(=O)=O)=CC1)=O |