| SpectraBase Compound ID | CEMeVbIDyck |
|---|---|
| InChI | InChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-10-15-24-19(21)16-17-11-13-18(14-12-17)20(22)23/h9-14H,2-8,15-16H2,1H3/b10-9+ |
| InChIKey | DDQCNHRGXYOSBK-MDZDMXLPSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C19H27NO4 |
| Exact Mass | 333.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JgyTxvRXGZ |
|---|---|
| Name | Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.194008349 u |
| Formula | C19H27NO4 |
| InChI | InChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-10-15-24-19(21)16-17-11-13-18(14-12-17)20(22)23/h9-14H,2-8,15-16H2,1H3/b10-9+ |
| InChIKey | DDQCNHRGXYOSBK-MDZDMXLPSA-N |
| Molecular Weight | 333.428 g/mol |
| SMILES | C(OC\C=C\CCCCCCCC)(CC=1C=CC(=CC1)N(=O)=O)=O |