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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYNHpr64erF
Name 3-[.alpha.-(2'-Acetylethyl)benzyl]-2-(4""""-phenylcyclohex-1""""-en-1""""-yl)-indole
Comments Computed using HOSE algorithm
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Exact Mass 419.224914557 u
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 C1(=C(C(CC(=O)C)C2=CC=CC=C2)C=2C=CC=CC2N1)C1=CCC(CC1)C1=CC=CC=C1