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2,5-Diphenyl-3-hexyne-2,5-diol
SpectraBase Compound ID 259r6ccG1UZ
InChI InChI=1S/C18H18O2/c1-17(19,15-9-5-3-6-10-15)13-14-18(2,20)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3
InChIKey HJVVXZWQDRNQEH-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0xcEWP7IWT
Name 2,5-Diphenylhex-3-yne-2,5-diol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
GC Column HP-5MS
InChI InChI=1S/C18H18O2/c1-17(19,15-9-5-3-6-10-15)13-14-18(2,20)16-11-7-4-8-12-16/h3-12,19-20H,1-2H3
InChIKey HJVVXZWQDRNQEH-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502174
Quality 50
SMILES OC(C#CC(C)(O)C1=CC=CC=C1)(C1=CC=CC=C1)C
SPLASH splash10-0a5a-0290000000-7ea742b8209c35c2c12d
Sample Comments Mixture of diastereoisomers (1:1)
Source of Spectrum QE-21-SM20-4a (DOI: 10.1002/chem.201502174)
Thin-Layer Chromatography 0.20 (hexane/AcOEt, 4:1)
Wiley ID 1909251