| SpectraBase Compound ID | 4LSYKP2L0r5 |
|---|---|
| InChI | InChI=1S/C15H13NO4/c17-15(10-12-4-2-1-3-5-12)20-11-13-6-8-14(9-7-13)16(18)19/h1-9H,10-11H2 |
| InChIKey | WVVQBXIXRHHEHQ-UHFFFAOYSA-N |
| Mol Weight | 271.27 g/mol |
| Molecular Formula | C15H13NO4 |
| Exact Mass | 271.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KY9xQJBmg97 |
|---|---|
| Name | Phenyl-acetic acid 4-nitro-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.084457899 u |
| Formula | C15H13NO4 |
| InChI | InChI=1S/C15H13NO4/c17-15(10-12-4-2-1-3-5-12)20-11-13-6-8-14(9-7-13)16(18)19/h1-9H,10-11H2 |
| InChIKey | WVVQBXIXRHHEHQ-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)COC(=O)CC=1C=CC=CC1 |