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2-Hexanone, 5-methyl-5-nitro-4-(4-nitrophenyl)-
SpectraBase Compound ID 9JNB2bE0QG1
InChI InChI=1S/C13H16N2O5/c1-9(16)8-12(13(2,3)15(19)20)10-4-6-11(7-5-10)14(17)18/h4-7,12H,8H2,1-3H3
InChIKey AVQYTKVFOZILOR-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HO0h3Xu7fl8
Name 2-Hexanone, 5-methyl-5-nitro-4-(4-nitrophenyl)-
CAS Registry Number 86984-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-9(16)8-12(13(2,3)15(19)20)10-4-6-11(7-5-10)14(17)18/h4-7,12H,8H2,1-3H3
InChIKey AVQYTKVFOZILOR-UHFFFAOYSA-N
Molecular Weight 280.280 g/mol
SMILES C(N(=O)=O)(C(c1ccc(N(=O)=O)cc1)CC(=O)C)(C)C
SPLASH splash10-0006-7900000000-e81a781586d6345dc2ed
Source of Spectrum B-36-540-0
Synonyms 5-Methyl-5-nitro-4-(4-nitrophenyl)-2-hexanone 5-Methyl-5-nitro-4-p-nitrophenylhexan-2-one
Wiley ID 1283524