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2,5-bis[4-(4-propylcyclohexyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID KdlFwgdGApD
InChI InChI=1S/C38H54/c1-3-5-27-7-11-29(12-8-27)31-15-19-33(20-16-31)35-23-37-25-36(26-38(37)24-35)34-21-17-32(18-22-34)30-13-9-28(6-4-2)10-14-30/h15-22,27-30,35-38H,3-14,23-26H2,1-2H3
InChIKey WLJUYXDJDZZBIU-UHFFFAOYSA-N
Mol Weight 510.9 g/mol
Molecular Formula C38H54
Exact Mass 510.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50o0TGlpba
Name 2,5-bis[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 C38H54
InChI InChI=1S/C38H54/c1-3-5-27-7-11-29(12-8-27)31-15-19-33(20-16-31)35-23-37-25-36(26-38(37)24-35)34-21-17-32(18-22-34)30-13-9-28(6-4-2)10-14-30/h15-22,27-30,35-38H,3-14,23-26H2,1-2H3
InChIKey WLJUYXDJDZZBIU-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 510.850 g/mol
SMILES C1C(CC2C1CC(C2)c1ccc(cc1)C1CCC(CC1)CCC)c1ccc(cc1)C1CCC(CC1)CCC
SPLASH splash10-0a4i-0900000000-413166844c886cf3f6c0
Source of Spectrum CN102875417A
Wiley ID 1847077