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3,5,6-TRIMETHYL-6-NITRO-CYCLOHEXA-2,4-DIENONE
SpectraBase Compound ID 4MBcFHrWnKv
InChI InChI=1S/C9H11NO3/c1-6-4-7(2)9(3,10(12)13)8(11)5-6/h4-5H,1-3H3
InChIKey OWTQPXKGIUKCPT-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XnEPUeXP3G
Name 3,5,6-Trimethyl-6-nitrocylcohexa-2,4-dienone
Alternate Name(s) 3,5,6-trimethyl-6-nitro-2,4-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-6-4-7(2)9(3,10(12)13)8(11)5-6/h4-5H,1-3H3
InChIKey OWTQPXKGIUKCPT-UHFFFAOYSA-N
Molecular Weight 181.191 g/mol
SMILES C1(N(=O)=O)(C(=CC(=CC1=O)C)C)C
SPLASH splash10-01q9-1900000000-2192c67ffa527ffa3916
Source of Spectrum I-62-1450-0
Wiley ID 1177378