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1-Cyclopropyl-1,4-diphenylbut-2-yne-1,4-diol
SpectraBase Compound ID 4BoTNsrXO8B
InChI InChI=1S/C19H18O2/c20-18(15-7-3-1-4-8-15)13-14-19(21,17-11-12-17)16-9-5-2-6-10-16/h1-10,17-18,20-21H,11-12H2
InChIKey NUGRZNUUJDFXJD-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEUxp3BFSTu
Name 1-Cyclopropyl-1,4-diphenylbut-2-yne-1,4-diol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.130679818 u
Formula C19H18O2
GC Column HP-5MS
InChI InChI=1S/C19H18O2/c20-18(15-7-3-1-4-8-15)13-14-19(21,17-11-12-17)16-9-5-2-6-10-16/h1-10,17-18,20-21H,11-12H2
InChIKey NUGRZNUUJDFXJD-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Molecular Weight 278.351 g/mol
Quality 20
SMILES OC(C#CC(C1CC1)(O)C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-00fr-0900000000-27c94c661788d6e6ae5e
Sample Comments Mixture of diastereoisomers (1:1)
Source of Spectrum QE-21-SM21-4f (DOI: 10.1002/chem.201502174)
Thin-Layer Chromatography 0.20 (hexane/AcOEt, 2:1)
Wiley ID 1909255