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Benzene, 1-(1,1-dinitroethyl)-4-nitro-
SpectraBase Compound ID 29JvVi1wDUA
InChI InChI=1S/C8H7N3O6/c1-8(10(14)15,11(16)17)6-2-4-7(5-3-6)9(12)13/h2-5H,1H3
InChIKey XWVXSGSPFMYMDJ-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 4ggA3YGIKW
Name Benzene, 1-(1,1-dinitroethyl)-4-nitro-
CAS Registry Number 72511-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O6
InChI InChI=1S/C8H7N3O6/c1-8(10(14)15,11(16)17)6-2-4-7(5-3-6)9(12)13/h2-5H,1H3
InChIKey XWVXSGSPFMYMDJ-UHFFFAOYSA-N
Molecular Weight 241.159 g/mol
SMILES C(N(=O)=O)(N(=O)=O)(c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0ufr-9300000000-8f646488d17a551f7a3f
Source of Spectrum B-32-1500-0
Synonyms 1-(1,1-dinitroethyl)-4-nitrobenzene p-(1,1-dinitroethyl)nitrobenzene
Wiley ID 1243754