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2-(4-ethylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID 1N7jwPdZQng
InChI InChI=1S/C31H42/c1-3-5-23-8-12-24(13-9-23)25-14-16-27(17-15-25)29-20-30-18-28(19-31(30)21-29)26-10-6-22(4-2)7-11-26/h6-7,10-11,14-17,23-24,28-31H,3-5,8-9,12-13,18-21H2,1-2H3
InChIKey NTJMIWZFNMCAJM-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C31H42
Exact Mass 414.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Pn8whB10UC
Name 2-(4-ethylphenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42
InChI InChI=1S/C31H42/c1-3-5-23-8-12-24(13-9-23)25-14-16-27(17-15-25)29-20-30-18-28(19-31(30)21-29)26-10-6-22(4-2)7-11-26/h6-7,10-11,14-17,23-24,28-31H,3-5,8-9,12-13,18-21H2,1-2H3
InChIKey NTJMIWZFNMCAJM-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 414.677 g/mol
SMILES C1C(CC2C1CC(C2)c1ccc(cc1)CC)c1ccc(cc1)C1CCC(CC1)CCC
SPLASH splash10-0a4i-0901000000-f2117ba8afe2e87ba60f
Source of Spectrum CN102875417A
Wiley ID 1847070