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2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malonic acid dibenzyl ester
SpectraBase Compound ID 3Ex8zlzdbDe
InChI InChI=1S/C27H32O4/c1-19(2)23-15-14-20(3)16-24(23)25(26(28)30-17-21-10-6-4-7-11-21)27(29)31-18-22-12-8-5-9-13-22/h4-13,20,23-25H,1,14-18H2,2-3H3/t20-,23+,24-/m1/s1
InChIKey GCPSNVUFVRGDRB-FGCOXFRFSA-N
Mol Weight 420.5 g/mol
Molecular Formula C27H32O4
Exact Mass 420.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1985d88acpf
Name 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malonic acid dibenzyl ester
Alternate Name(s) 2-[(1R,2R,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl]propanedioic acid bis(phenylmethyl) ester bis(phenylmethyl) 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]propanedioate dibenzyl 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]propanedioate dibenzyl 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]propanedioate
CAS Registry Number 120229-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O4
InChI InChI=1S/C27H32O4/c1-19(2)23-15-14-20(3)16-24(23)25(26(28)30-17-21-10-6-4-7-11-21)27(29)31-18-22-12-8-5-9-13-22/h4-13,20,23-25H,1,14-18H2,2-3H3/t20-,23+,24-/m1/s1
InChIKey GCPSNVUFVRGDRB-FGCOXFRFSA-N
Molecular Weight 420.549 g/mol
SMILES C([C@]1([C@](C(=C)C)(CC[C@](C1)(C)[H])[H])[H])(C(OCc1ccccc1)=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9021000000-4c91eeffd431748d161c
Source of Spectrum J-54-3127-15
Wiley ID 1378125