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5-Cyclopropyl-5-(1-methyl-1H-indol-3-yl)-5-phenyl-2-(thiophen-2-yl)pent-3-yn-2-ol
SpectraBase Compound ID H3vItlXLPpX
InChI InChI=1S/C27H25NOS/c1-26(29,25-13-8-18-30-25)16-17-27(21-14-15-21,20-9-4-3-5-10-20)23-19-28(2)24-12-7-6-11-22(23)24/h3-13,18-19,21,29H,14-15H2,1-2H3
InChIKey XJWJKYNHCGSJCZ-UHFFFAOYSA-N
Mol Weight 411.56 g/mol
Molecular Formula C27H25NOS
Exact Mass 411.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgRiSEpF4mb
Name 5-Cyclopropyl-5-(1-methyl-1H-indol-3-yl)-5-phenyl-2-(thiophen-2-yl)pent-3-yn-2-ol
Appearance Yellow foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NOS
GC Column HP-5MS
InChI InChI=1S/C27H25NOS/c1-26(29,25-13-8-18-30-25)16-17-27(21-14-15-21,20-9-4-3-5-10-20)23-19-28(2)24-12-7-6-11-22(23)24/h3-13,18-19,21,29H,14-15H2,1-2H3
InChIKey XJWJKYNHCGSJCZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 411.563 g/mol
Quality 29
SMILES OC(C#CC(C=1C=2C=CC=CC2N(C1)C)(C1CC1)C1=CC=CC=C1)(C=1SC=CC1)C
SPLASH splash10-0006-0609000000-259f86da6813b3cb23cd
Sample Comments Mixture of diastereoisomers (1:1)
Source of Spectrum QE-21-SM4-1e (DOI: 10.1002/chem.201502174)
Thin-Layer Chromatography 0.2 (hexane/Et2O, 4:1)
Wiley ID 1909226