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Bicyclo[4.2.0]octa-1,3,5-triene, 3-bromo-4-nitro-
SpectraBase Compound ID LiEqzNh4gYn
InChI InChI=1S/C8H6BrNO2/c9-7-3-5-1-2-6(5)4-8(7)10(11)12/h3-4H,1-2H2
InChIKey GSFLCAMNCPTAFQ-UHFFFAOYSA-N
Mol Weight 228.04 g/mol
Molecular Formula C8H6BrNO2
Exact Mass 226.958191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClT8fj7vnJ9
Name Bicyclo[4.2.0]octa-1,3,5-triene, 3-bromo-4-nitro-
CAS Registry Number 80964-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrNO2
InChI InChI=1S/C8H6BrNO2/c9-7-3-5-1-2-6(5)4-8(7)10(11)12/h3-4H,1-2H2
InChIKey GSFLCAMNCPTAFQ-UHFFFAOYSA-N
Molecular Weight 228.045 g/mol
SMILES c1(N(=O)=O)cc2CCc2cc1Br
SPLASH splash10-0fb9-0960000000-f773d01c3dda3a4d87c9
Source of Spectrum C-104-2620-0
Synonyms 3-Bromo-4-nitribicyclo[4.2.0]octa-1,3,5-triene 3-Bromo-4-nitrobicyclo[4.2.0]octa-1,3,5-triene
Wiley ID 1228339