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2-[4-(4-propylcyclohexyl)phenyl]-5-(3,4,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID 42OP15IXrjJ
InChI InChI=1S/C29H35F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-23-14-25(15-24(23)13-22)26-16-27(30)29(32)28(31)17-26/h8-11,16-19,22-25H,2-7,12-15H2,1H3
InChIKey HLDMFFVJUZKBFI-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C29H35F3
Exact Mass 440.269086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQylts6gXKI
Name 2-[4-(4-propylcyclohexyl)phenyl]-5-(3,4,5-trifluorophenyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35F3
InChI InChI=1S/C29H35F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-23-14-25(15-24(23)13-22)26-16-27(30)29(32)28(31)17-26/h8-11,16-19,22-25H,2-7,12-15H2,1H3
InChIKey HLDMFFVJUZKBFI-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 440.594 g/mol
SMILES C1C(CC2C1CC(C2)c1cc(c(c(c1)F)F)F)c1ccc(cc1)C1CCC(CC1)CCC
SPLASH splash10-0a4i-0900200000-95fd1be9d71916f866ca
Source of Spectrum CN102875417A
Wiley ID 1847076