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1-Methyl 2-{trans-4-[(trans-4-Propylcyclohexyl)ethyl]cyclohexyl} (PM)-5,6,8,10-Tetramethylheptalene-1,2-dicarboxylate
SpectraBase Compound ID Dgx3aBgKlte
InChI InChI=1S/C36H50O4/c1-7-8-27-10-12-28(13-11-27)14-15-29-16-18-30(19-17-29)40-35(37)31-20-9-24(3)32-25(4)21-23(2)22-26(5)33(32)34(31)36(38)39-6/h9,20-22,27-30H,7-8,10-19H2,1-6H3/t27-,28-,29-,30-
InChIKey NYLQOWVGKDQCLU-DANJKSSVSA-N
Mol Weight 546.8 g/mol
Molecular Formula C36H50O4
Exact Mass 546.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Nt7iynW9Oy
Name 1-Methyl 2-{trans-4-[(trans-4-Propylcyclohexyl)ethyl]cyclohexyl} (PM)-5,6,8,10-Tetramethylheptalene-1,2-dicarboxylate
CAS Registry Number 108591-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H50O4
InChI InChI=1S/C36H50O4/c1-7-8-27-10-12-28(13-11-27)14-15-29-16-18-30(19-17-29)40-35(37)31-20-9-24(3)32-25(4)21-23(2)22-26(5)33(32)34(31)36(38)39-6/h9,20-22,27-30H,7-8,10-19H2,1-6H3/t27-,28-,29-,30-
InChIKey NYLQOWVGKDQCLU-DANJKSSVSA-N
Molecular Weight 546.792 g/mol
SMILES C12=C(C(C(O[C@]3(CC[C@@](CC3)(CC[C@]3(CC[C@@](CC3)(CCC)[H])[H])[H])[H])=O)=CC=C(C2=C(C=C(C=C1C)C)C)C)C(=O)OC
SPLASH splash10-000t-0681090000-3b457f19f607cd5362aa
Source of Spectrum H-70-435-0
Synonyms 1-Methyl 2-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl} 5,6,8,10-tetramethyl-1,2-heptalenedicarboxylate
Wiley ID 1405322