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1-Cyclohexene-1,4-dicarboxylic acid, 3-methyl-4-(1-propenyl)-, dimethyl ester, [3.alpha.,4.beta.,4(E)]-
SpectraBase Compound ID 8ImDQkR3Mlb
InChI InChI=1S/C14H20O4/c1-5-7-14(13(16)18-4)8-6-11(9-10(14)2)12(15)17-3/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t10-,14-/m0/s1
InChIKey LBUFKZMMGRCRNM-AUZMMHNKSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hchdlzxo4CH
Name 1-Cyclohexene-1,4-dicarboxylic acid, 3-methyl-4-(1-propenyl)-, dimethyl ester, [3.alpha.,4.beta.,4(E)]-
Alternate Name(s) Dimethyl (3S,4R)-3-methyl-4-[(1E)-1-propenyl]-1-cyclohexene-1,4-dicarboxylate Dimethyl 3-methyl-4-(1-propenyl)-1-cyclohexene-1,4-dicarboxylate
CAS Registry Number 115266-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-5-7-14(13(16)18-4)8-6-11(9-10(14)2)12(15)17-3/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t10-,14-/m0/s1
InChIKey LBUFKZMMGRCRNM-AUZMMHNKSA-N
Molecular Weight 252.310 g/mol
SMILES [C@@]1([C@](C=C(CC1)C(=O)OC)(C)[H])(C(=O)OC)\C=C\C
SPLASH splash10-03ec-2920000000-af3d222264dd6e8db2d4
Source of Spectrum J-53-3707-6
Wiley ID 1255592