SpectraBase Spectrum ID |
3ttd0iRpYrX |
Name |
Benzene, 1-[(2,2-dibromocyclopropyl)methyl]-4,5-dimethoxy-2-nitro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
392.921133899 u |
Formula |
C12H13Br2NO4 |
InChI |
InChI=1S/C12H13Br2NO4/c1-18-10-4-7(3-8-6-12(8,13)14)9(15(16)17)5-11(10)19-2/h4-5,8H,3,6H2,1-2H3 |
InChIKey |
KBOVJFQQYXFLMX-UHFFFAOYSA-N |
Molecular Weight |
395.047 g/mol |
SMILES |
C1(=CC(=C(C=C1OC)N(=O)=O)CC1C(Br)(Br)C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88333 |