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2,3-Dimethyl-5-p-tolylpent-4-yne-2,3-diol
SpectraBase Compound ID 1DOK3GuGGKk
InChI InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)9-10-14(4,16)13(2,3)15/h5-8,15-16H,1-4H3
InChIKey XQRNAILRIANTNJ-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFfNj6LohYw
Name 2,3-Dimethyl-5-p-tolylpent-4-yne-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)9-10-14(4,16)13(2,3)15/h5-8,15-16H,1-4H3
InChIKey XQRNAILRIANTNJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301628n
Molecular Weight 218.296 g/mol
SMILES OC(C(O)(C#Cc1ccc(cc1)C)C)(C)C
SPLASH splash10-06r2-0900000000-c913de52e513b4c00c2a
Source of Spectrum J-77-8666-3c
Synonyms 2,3-Dimethyl-5-(p-tolyl)pent-4-yne-2,3-diol 2,3-Dimethyl-5-(4-methylphenyl)-4-pentyne-2,3-diol 2,3-Dimethyl-5-(4-methylphenyl)pent-4-yne-2,3-diol
Wiley ID 1747081