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2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malonic acid diethyl ester
SpectraBase Compound ID EFYA6qPgQ5r
InChI InChI=1S/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)14-10-12(5)8-9-13(14)11(3)4/h12-15H,3,6-10H2,1-2,4-5H3/t12-,13+,14-/m1/s1
InChIKey WOHCWUOXSXIWKF-HZSPNIEDSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 865kYu6uYn4
Name 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malonic acid diethyl ester
CAS Registry Number 106431-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-6-20-16(18)15(17(19)21-7-2)14-10-12(5)8-9-13(14)11(3)4/h12-15H,3,6-10H2,1-2,4-5H3/t12-,13+,14-/m1/s1
InChIKey WOHCWUOXSXIWKF-HZSPNIEDSA-N
Molecular Weight 296.407 g/mol
SMILES C([C@]1([C@](C(=C)C)(CC[C@](C1)(C)[H])[H])[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-000i-0930000000-ba5b5c5a0331c1fedb13
Source of Spectrum J-54-3127-15
Synonyms 2-[(1R,2R,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl]propanedioic acid diethyl ester Diethyl 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]propanedioate Diethyl 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]propanedioate
Wiley ID 1299197