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1-Cyclopropyl-1,4-diphenylpent-2-yne-1,4-diol
SpectraBase Compound ID 4M62e5Pa0Zl
InChI InChI=1S/C20H20O2/c1-19(21,16-8-4-2-5-9-16)14-15-20(22,18-12-13-18)17-10-6-3-7-11-17/h2-11,18,21-22H,12-13H2,1H3
InChIKey VKTBKPASUYWMIF-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iik9XBZuFsR
Name 1-Cyclopropyl-1,4-diphenylpent-2-yne-1,4-diol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2
GC Column HP-5MS
InChI InChI=1S/C20H20O2/c1-19(21,16-8-4-2-5-9-16)14-15-20(22,18-12-13-18)17-10-6-3-7-11-17/h2-11,18,21-22H,12-13H2,1H3
InChIKey VKTBKPASUYWMIF-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 292.378 g/mol
Quality 45
Reported Formula C20H20O2
SMILES OC(C#CC(C1CC1)(O)C1=CC=CC=C1)(C1=CC=CC=C1)C
SPLASH splash10-00di-0920000000-e6eecc64375be8f8fa96
Source of Spectrum QE-21-SM20-4c (DOI: 10.1002/chem.201502174)
Thin-Layer Chromatography 0.13 (hexane/AcOEt, 4:1)
Wiley ID 1909252