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3-Methyl-4-cyclohexene-1,2-dicarboxylic acid
SpectraBase Compound ID F9egENIku4a
InChI InChI=1S/C9H12O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-3,5-7H,4H2,1H3,(H,10,11)(H,12,13)
InChIKey ZPRXNOLDOXHXIQ-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HgiVfif1fV
Name 3-Methyl-4-cyclohexene-1,2-dicarboxylic acid
Alternate Name(s) cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid
CAS Registry Number 40469-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-3,5-7H,4H2,1H3,(H,10,11)(H,12,13)
InChIKey ZPRXNOLDOXHXIQ-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES OC(C1C(C(O)=O)CC=CC1C)=O
SPLASH splash10-004i-9000000000-9ac483c43abe6e192030
Source of Spectrum NP-3-1939-0
Wiley ID 1102270