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2,4-Cyclohexadiene-1,2-dicarboxylic acid, 6,6-dimethyl-, dimethyl ester, (.+-.)-
SpectraBase Compound ID CEd1x2ogtGi
InChI InChI=1S/C12H16O4/c1-12(2)7-5-6-8(10(13)15-3)9(12)11(14)16-4/h5-7,9H,1-4H3
InChIKey CNRLHPODGWEDNL-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yrPirJROxd
Name 2,4-Cyclohexadiene-1,2-dicarboxylic acid, 6,6-dimethyl-, dimethyl ester, (.+-.)-
Alternate Name(s) Dimethyl 6,6-dimethyl-2,4-cyclohexadiene-1,2-dicarboxylate
CAS Registry Number 122203-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(2)7-5-6-8(10(13)15-3)9(12)11(14)16-4/h5-7,9H,1-4H3
InChIKey CNRLHPODGWEDNL-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES C=1(C(C(=O)OC)C(C)(C)C=CC1)C(=O)OC
SPLASH splash10-0ap0-9700000000-cd66d921dede958cf447
Source of Spectrum H-71-1592-7
Wiley ID 1224988