| SpectraBase Spectrum ID |
Dq5sTZnoemn |
| Name |
3-Methylbut-3-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/c1-8(2)3-4-20-12(15)9-5-10(13(16)17)7-11(6-9)14(18)19/h5-7H,1,3-4H2,2H3 |
| InChIKey |
XGFGKTGBDOKXEY-UHFFFAOYSA-N |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892376 |
