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4-Cyclopropyl-4-(1-methyl-1H-indol-3-yl)-1,1,4-triphenylbut-2-yn-1-ol
SpectraBase Compound ID FII3wrF0qUm
InChI InChI=1S/C34H29NO/c1-35-25-31(30-19-11-12-20-32(30)35)33(27-21-22-27,26-13-5-2-6-14-26)23-24-34(36,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-20,25,27,36H,21-22H2,1H3
InChIKey KOVYPQVDLROGJY-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C34H29NO
Exact Mass 467.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Amonxxn9b0A
Name 4-Cyclopropyl-4-(1-methyl-1H-indol-3-yl)-1,1,4-triphenylbut-2-yn-1-ol
Appearance White solid
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Exact Mass 467.224914557 u
Formula C34H29NO
GC Column HP-5MS
InChI InChI=1S/C34H29NO/c1-35-25-31(30-19-11-12-20-32(30)35)33(27-21-22-27,26-13-5-2-6-14-26)23-24-34(36,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-20,25,27,36H,21-22H2,1H3
InChIKey KOVYPQVDLROGJY-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 467.612 g/mol
Quality 7
Reported Formula C34H29NO
SMILES OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-0aru-0930600000-6bfe95cb7868bdd89497
Source of Spectrum QE-21-SM4-1f (DOI: 10.1002/chem.201502174)
Wiley ID 1909227