| SpectraBase Spectrum ID |
1dTiZ2SfyON |
| Name |
Benzene, 1,4-di(butoxy)-2,3-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.132136366 u |
| Formula |
C14H20N2O6 |
| InChI |
InChI=1S/C14H20N2O6/c1-3-5-9-21-11-7-8-12(22-10-6-4-2)14(16(19)20)13(11)15(17)18/h7-8H,3-6,9-10H2,1-2H3 |
| InChIKey |
FNUBDFOGQVNBFS-UHFFFAOYSA-N |
| Molecular Weight |
312.322 g/mol |
| SMILES |
C1(=C(N(=O)=O)C(OCCCC)=CC=C1OCCCC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86915 |
