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2-[(3,5-Dinitrobenzoyl)oxy]cyclohexanone
SpectraBase Compound ID 7v4sjQIQyUu
InChI InChI=1S/C13H12N2O7/c16-11-3-1-2-4-12(11)22-13(17)8-5-9(14(18)19)7-10(6-8)15(20)21/h5-7,12H,1-4H2
InChIKey PMOJITJPCWQVOV-UHFFFAOYSA-N
Mol Weight 308.25 g/mol
Molecular Formula C13H12N2O7
Exact Mass 308.064451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3WLumZk4d7
Name 2-[(3,5-Dinitrobenzoyl)oxy]cyclohexanone
CAS Registry Number 77256-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O7
InChI InChI=1S/C13H12N2O7/c16-11-3-1-2-4-12(11)22-13(17)8-5-9(14(18)19)7-10(6-8)15(20)21/h5-7,12H,1-4H2
InChIKey PMOJITJPCWQVOV-UHFFFAOYSA-N
Molecular Weight 308.246 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(OC2C(=O)CCCC2)=O)c1
SPLASH splash10-0cdj-9441000000-337509d12710a1490648
Source of Spectrum J-46-2720-0
Synonyms 2-Oxocyclohexyl 3,5-dinitrobenzoate
Wiley ID 1309399