| SpectraBase Compound ID | IyvPMMjqxmJ |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3 |
| InChIKey | WHZYPQVZYYTVFW-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HhJYnsCNzB |
|---|---|
| Name | Benzoic acid, 4-nitro-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3 |
| InChIKey | WHZYPQVZYYTVFW-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C1=CC(C(OCCCCCCCC)=O)=CC=C1N(=O)=O |