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4-Cyclopropyl-1,1-bis(4-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-4-phenylbut-2-yn-1-ol

View entire compound with spectra: 1 MS (GC)

4-Cyclopropyl-1,1-bis(4-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-4-phenylbut-2-yn-1-ol
SpectraBase Compound ID CIUARun2phd
InChI InChI=1S/C36H33NO3/c1-37-25-33(32-11-7-8-12-34(32)37)35(27-13-14-27,26-9-5-4-6-10-26)23-24-36(38,28-15-19-30(39-2)20-16-28)29-17-21-31(40-3)22-18-29/h4-12,15-22,25,27,38H,13-14H2,1-3H3
InChIKey KNVRVQZOMNFARL-UHFFFAOYSA-N
Mol Weight 527.7 g/mol
Molecular Formula C36H33NO3
Exact Mass 527.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5CkeMo0Bh5
Name 4-Cyclopropyl-1,1-bis(4-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-4-phenylbut-2-yn-1-ol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.246043924 u
Formula C36H33NO3
GC Column HP-5MS
InChI InChI=1S/C36H33NO3/c1-37-25-33(32-11-7-8-12-34(32)37)35(27-13-14-27,26-9-5-4-6-10-26)23-24-36(38,28-15-19-30(39-2)20-16-28)29-17-21-31(40-3)22-18-29/h4-12,15-22,25,27,38H,13-14H2,1-3H3
InChIKey KNVRVQZOMNFARL-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 527.664 g/mol
Quality 29
Reported Formula C36H33NO3
SMILES OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
SPLASH splash10-000l-0920000000-8e8811b4ffeba3bec1c6
Source of Spectrum QE-21-SM5-1g (DOI: 10.1002/chem.201502174)
Wiley ID 1909228