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2-Methyl-4-p-tolylbut-3-yne-1,2-diol
SpectraBase Compound ID 3qATS0nSHtv
InChI InChI=1S/C17H16O2/c1-14-7-9-15(10-8-14)11-12-17(19,13-18)16-5-3-2-4-6-16/h2-10,18-19H,13H2,1H3
InChIKey BWODNQNGHXNHAA-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aGRvsh9xh7
Name 2-Methyl-4-p-tolylbut-3-yne-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-14-7-9-15(10-8-14)11-12-17(19,13-18)16-5-3-2-4-6-16/h2-10,18-19H,13H2,1H3
InChIKey BWODNQNGHXNHAA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301628n
Molecular Weight 252.313 g/mol
SMILES OC(CO)(C#Cc1ccc(cc1)C)c1ccccc1
SPLASH splash10-0a4i-1900000000-470d6847f3b11dd81aff
Source of Spectrum J-77-8662-1o
Synonyms 2-Phenyl-4-(p-tolyl)but-3-yne-1,2-diol
Wiley ID 1747056