| SpectraBase Compound ID | 3pqKw78jhKR |
|---|---|
| InChI | InChI=1S/C21H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-21(24)18-15-19(22(25)26)17-20(16-18)23(27)28/h15-17H,2-14H2,1H3 |
| InChIKey | VXJITDSTVSJKRQ-UHFFFAOYSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C21H32N2O6 |
| Exact Mass | 408.226037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYIZUW1J9qr |
|---|---|
| Name | 3,5-Dinitrobenzoyl ester of tetradecen-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.226036752 u |
| Formula | C21H32N2O6 |
| InChI | InChI=1S/C21H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-21(24)18-15-19(22(25)26)17-20(16-18)23(27)28/h15-17H,2-14H2,1H3 |
| InChIKey | VXJITDSTVSJKRQ-UHFFFAOYSA-N |
| Molecular Weight | 408.495 g/mol |
| SMILES | C1=C(C=C(C=C1N(=O)=O)N(=O)=O)C(OCCCCCCCCCCCCCC)=O |