| SpectraBase Compound ID | EAa3Hf86B8y |
|---|---|
| InChI | InChI=1S/C17H22N2O6/c1-12(2)5-4-6-13(3)7-8-25-17(20)14-9-15(18(21)22)11-16(10-14)19(23)24/h5,9-11,13H,4,6-8H2,1-3H3 |
| InChIKey | HEVIMRBTPATVSL-UHFFFAOYSA-N |
| Mol Weight | 350.37 g/mol |
| Molecular Formula | C17H22N2O6 |
| Exact Mass | 350.147786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RsUwmgM0nK |
|---|---|
| Name | 3,7-Dimethyloct-6-enyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.147786430 u |
| Formula | C17H22N2O6 |
| InChI | InChI=1S/C17H22N2O6/c1-12(2)5-4-6-13(3)7-8-25-17(20)14-9-15(18(21)22)11-16(10-14)19(23)24/h5,9-11,13H,4,6-8H2,1-3H3 |
| InChIKey | HEVIMRBTPATVSL-UHFFFAOYSA-N |
| Molecular Weight | 350.371 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCC(CCC=C(C)C)C |