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2-[4-(4-ethylphenyl)-3-fluoro-phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SpectraBase Compound ID 6sgHC9DlSAQ
InChI InChI=1S/C25H31F/c1-3-5-18-12-21-14-23(15-22(21)13-18)20-10-11-24(25(26)16-20)19-8-6-17(4-2)7-9-19/h6-11,16,18,21-23H,3-5,12-15H2,1-2H3
InChIKey XDHWMRRTACOPHJ-UHFFFAOYSA-N
Mol Weight 350.52 g/mol
Molecular Formula C25H31F
Exact Mass 350.240979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83WNOvsf9iM
Name 2-[4-(4-ethylphenyl)-3-fluoro-phenyl]-5-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
Appearance Liquid
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Formula C25H31F
InChI InChI=1S/C25H31F/c1-3-5-18-12-21-14-23(15-22(21)13-18)20-10-11-24(25(26)16-20)19-8-6-17(4-2)7-9-19/h6-11,16,18,21-23H,3-5,12-15H2,1-2H3
InChIKey XDHWMRRTACOPHJ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 350.521 g/mol
SMILES C1C(CC2C1CC(C2)c1cc(c(cc1)-c1ccc(cc1)CC)F)CCC
SPLASH splash10-0a4i-0903000000-75e1b937d5063acd800a
Source of Spectrum CN102875417A
Wiley ID 1847069