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3-[.alpha.-(2'-Acetylethyl)benzyl]-2-(4"-phenylcyclohex-1"-en-1"-yl)-indole
SpectraBase Compound ID Ghi9WeiVTW9
InChI InChI=1S/C30H29NO/c1-21(32)20-27(24-12-6-3-7-13-24)29-26-14-8-9-15-28(26)31-30(29)25-18-16-23(17-19-25)22-10-4-2-5-11-22/h2-15,18,23,27,31H,16-17,19-20H2,1H3
InChIKey WXVJYJUKZWSOCL-UHFFFAOYSA-N
Mol Weight 419.57 g/mol
Molecular Formula C30H29NO
Exact Mass 419.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLvIItBgm0T
Name 3-[.alpha.-(2'-Acetylethyl)benzyl]-2-(4"-phenylcyclohex-1"-en-1"-yl)-indole
Alternate Name(s) 4-phenyl-4-[2-(4-phenyl-1-cyclohexen-1-yl)-1H-indol-3-yl]-2-butanone
Comments Less than 3 mono-isotopic peaks
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Formula C30H29NO
InChI InChI=1S/C30H29NO/c1-21(32)20-27(24-12-6-3-7-13-24)29-26-14-8-9-15-28(26)31-30(29)25-18-16-23(17-19-25)22-10-4-2-5-11-22/h2-15,18,23,27,31H,16-17,19-20H2,1H3
InChIKey WXVJYJUKZWSOCL-UHFFFAOYSA-N
Molecular Weight 419.568 g/mol
SMILES [nH]1c2ccccc2c(c1C1=CCC(CC1)c1ccccc1)C(CC(=O)C)c1ccccc1
SPLASH splash10-03di-0009400000-bea018751858ef049a5c
Source of Spectrum HE-2004-949-3
Wiley ID 1581752