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Benzene, 1-[(2,2-dibromocyclopropyl)methyl]-4,5-dimethoxy-2-nitro-
SpectraBase Compound ID BTAWiTrKQxJ
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
Mol Weight 395.05 g/mol
Molecular Formula C12H13Br2NO4
Exact Mass 392.921134 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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