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2-[1'-(3'',5''-Diisopropylphenyl)-1'-methyl-ethyl]cyclohexyl 2-oxo-2-phenyl-acetate

View entire compound with spectra: 2 MS (GC)

2-[1'-(3'',5''-Diisopropylphenyl)-1'-methyl-ethyl]cyclohexyl 2-oxo-2-phenyl-acetate
SpectraBase Compound ID KFwKNASKFuk
InChI InChI=1S/C29H38O3/c1-19(2)22-16-23(20(3)4)18-24(17-22)29(5,6)25-14-10-11-15-26(25)32-28(31)27(30)21-12-8-7-9-13-21/h7-9,12-13,16-20,25-26H,10-11,14-15H2,1-6H3/t25-,26-/m0/s1
InChIKey PLIHCKBMHGMYON-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C29H38O3
Exact Mass 434.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pCWgi5kYA1
Name 2-[1'-(3'',5''-Diisopropylphenyl)-1'-methyl-ethyl]cyclohexyl 2-oxo-2-phenyl-acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O3
InChI InChI=1S/C29H38O3/c1-19(2)22-16-23(20(3)4)18-24(17-22)29(5,6)25-14-10-11-15-26(25)32-28(31)27(30)21-12-8-7-9-13-21/h7-9,12-13,16-20,25-26H,10-11,14-15H2,1-6H3/t25-,26-/m0/s1
InChIKey PLIHCKBMHGMYON-UHFFFAOYSA-N
Molecular Weight 434.620 g/mol
SMILES C(C(=O)c1ccccc1)(O[C@@]1([C@@](C(c2cc(C(C)C)cc(c2)C(C)C)(C)C)(CCCC1)[H])[H])=O
SPLASH splash10-0udi-0090000000-278c471103d376203462
Source of Spectrum B-52-101-1
Synonyms 2-[1'-(3'',5''-Diisopropylphenyl)-1'-methylethyl]cyclohexyl 2-oxo-2-phenylacetate 2-[1-(3,5-diisopropylphenyl)-1-methylethyl]cyclohexyl oxo(phenyl)acetate
Wiley ID 746271