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4-Cyclohexene-1,2-dicarboxylic acid, 4-(3-methyl-1-oxo-2-butenyl)-, dimethyl ester, cis-
SpectraBase Compound ID IwoTXdGWMjg
InChI InChI=1S/C15H20O5/c1-9(2)7-13(16)10-5-6-11(14(17)19-3)12(8-10)15(18)20-4/h5,7,11-12H,6,8H2,1-4H3/t11-,12+/m1/s1
InChIKey DBKXMNLULSAGKE-NEPJUHHUSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M1WG4AIkry
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(3-methyl-1-oxo-2-butenyl)-, dimethyl ester, cis-
Alternate Name(s) cis-1,2-di(methoxycarbonyl)-4-((2-methyl-1-propenyl)carbonyl)-4-cyclohexene Dimethyl (1R,2S)-4-(3-methyl-2-butenoyl)-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 112091-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-9(2)7-13(16)10-5-6-11(14(17)19-3)12(8-10)15(18)20-4/h5,7,11-12H,6,8H2,1-4H3/t11-,12+/m1/s1
InChIKey DBKXMNLULSAGKE-NEPJUHHUSA-N
Molecular Weight 280.320 g/mol
SMILES [C@@]1([C@](C(=O)OC)(CC=C(C1)C(C=C(C)C)=O)[H])(C(=O)OC)[H]
SPLASH splash10-01q9-6790000000-2ba8ed517b025483a744
Source of Spectrum AJ-60-330-9
Wiley ID 1283827