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2,3,6-TRIMETHYL-4-NITRO-CYCLOHEXA-2,4-DIENONE
SpectraBase Compound ID DUH1Fkv1M6d
InChI InChI=1S/C9H11NO3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4,8H,1-3H3
InChIKey HTEHOYBHKKZBOJ-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 EWD9IdhF7yF
Name 2,3,6-Trimethyl-4-nitrocyclohexa-2,5-dienone
Alternate Name(s) 2,3,6-trimethyl-4-nitro-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4,8H,1-3H3
InChIKey HTEHOYBHKKZBOJ-UHFFFAOYSA-N
Molecular Weight 181.191 g/mol
SMILES C1(C(=C(C)C(C(=C1)C)=O)C)N(=O)=O
SPLASH splash10-01rx-8900000000-cb3c06978ffe18982797
Source of Spectrum I-62-1450-0
Wiley ID 1177377