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(2,2,2-Trinitroethyl)benzene
SpectraBase Compound ID 74aow3wZGVx
InChI InChI=1S/C8H7N3O6/c12-9(13)8(10(14)15,11(16)17)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey AJYDBHCFRVMOBB-UHFFFAOYSA-N
Mol Weight 241.16 g/mol
Molecular Formula C8H7N3O6
Exact Mass 241.033485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5AaiGF5H3E
Name (2,2,2-Trinitroethyl)benzene
CAS Registry Number 84942-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O6
InChI InChI=1S/C8H7N3O6/c12-9(13)8(10(14)15,11(16)17)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey AJYDBHCFRVMOBB-UHFFFAOYSA-N
Molecular Weight 241.159 g/mol
SMILES c1ccc(cc1)CC(N(=O)=O)(N(=O)=O)N(=O)=O
SPLASH splash10-00b9-9310000000-73e8be7791de965e87a8
Source of Spectrum W5-1989-9705-1
Synonyms Benzene, trinitro-ethyl-
Wiley ID 1243755