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1,4-Dicyclopropyl-4-(1-methyl-1H-indol-3-yl)-4-phenylbut-2-yn-1-ol
SpectraBase Compound ID CUz2ciP5fQR
InChI InChI=1S/C25H25NO/c1-26-17-22(21-9-5-6-10-23(21)26)25(20-13-14-20,19-7-3-2-4-8-19)16-15-24(27)18-11-12-18/h2-10,17-18,20,24,27H,11-14H2,1H3
InChIKey CJODKMLITSUORX-UHFFFAOYSA-N
Mol Weight 355.48 g/mol
Molecular Formula C25H25NO
Exact Mass 355.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3qrSTDiZOE
Name 1,4-Dicyclopropyl-4-(1-methyl-1H-indol-3-yl)-4-phenylbut-2-yn-1-ol
Appearance White foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO
GC Column HP-5MS
InChI InChI=1S/C25H25NO/c1-26-17-22(21-9-5-6-10-23(21)26)25(20-13-14-20,19-7-3-2-4-8-19)16-15-24(27)18-11-12-18/h2-10,17-18,20,24,27H,11-14H2,1H3
InChIKey CJODKMLITSUORX-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 355.481 g/mol
Quality 41
SMILES OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)C1CC1
SPLASH splash10-056u-0209000000-baa1b7dd093ced851c8d
Sample Comments Mixture of diastereoisomers (1:1)
Source of Spectrum QE-21-SM8-1p (DOI: 10.1002/chem.201502174)
Thin-Layer Chromatography 0.28 (hexane/Et2O, 1:1)
Wiley ID 1909234