| SpectraBase Compound ID | D3pr2Dsm6ny |
|---|---|
| InChI | InChI=1S/C12H12N2O6/c1-2-3-4-5-20-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h2,6-8H,1,3-5H2 |
| InChIKey | NRLCGTBUQXDVDM-UHFFFAOYSA-N |
| Mol Weight | 280.24 g/mol |
| Molecular Formula | C12H12N2O6 |
| Exact Mass | 280.069536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F4KuiCpNZ88 |
|---|---|
| Name | Pent-4-enyl 3,5-dinitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.069536108 u |
| Formula | C12H12N2O6 |
| InChI | InChI=1S/C12H12N2O6/c1-2-3-4-5-20-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h2,6-8H,1,3-5H2 |
| InChIKey | NRLCGTBUQXDVDM-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940009 |