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3,6-Dinitro-1,2-diphenylcyclohexane
SpectraBase Compound ID DDZovLMyKKS
InChI InChI=1S/C18H18N2O4/c21-19(22)15-11-12-16(20(23)24)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-10,15-18H,11-12H2
InChIKey JNWKCSQTFQBYSQ-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6aIV8Zajsj
Name 3,6-Dinitro-1,2-diphenylcyclohexane
Appearance Colourless crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c21-19(22)15-11-12-16(20(23)24)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-10,15-18H,11-12H2
InChIKey JNWKCSQTFQBYSQ-UHFFFAOYSA-N
Instrument Name Varian 1400 and 3400/GC-8A-Finnigan MAT CH7A and MAT 8230
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.131
Molecular Weight 326.352 g/mol
SMILES C1([N+](=O)[O-])CCC(C(C1c1ccccc1)c1ccccc1)[N+](=O)[O-]
SPLASH splash10-00kf-5920000000-c93a074f9ae70396eab7
Source of Spectrum BJO-11-SM28-30
Wiley ID 1851481