| SpectraBase Compound ID | C5MphNMhN1w |
|---|---|
| InChI | InChI=1S/C15H17NO4/c1-4-6-11-15(3,5-2)20-14(17)12-7-9-13(10-8-12)16(18)19/h4-5,7-10H,1-2,6,11H2,3H3 |
| InChIKey | JVAIOJLZWCZYQR-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C15H17NO4 |
| Exact Mass | 275.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jsMJzSFB0q |
|---|---|
| Name | 4-Nitrobenzoic acid, 1-methyl-1-vinyl-pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.115758027 u |
| Formula | C15H17NO4 |
| InChI | InChI=1S/C15H17NO4/c1-4-6-11-15(3,5-2)20-14(17)12-7-9-13(10-8-12)16(18)19/h4-5,7-10H,1-2,6,11H2,3H3 |
| InChIKey | JVAIOJLZWCZYQR-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C(=O)OC(C)(CCC=C)C=C)C=C1 |