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2,3-Dimethyl-5-phenylpent-4-yne-2,3-diol
SpectraBase Compound ID 9VTSD0DfC54
InChI InChI=1S/C13H16O2/c1-12(2,14)13(3,15)10-9-11-7-5-4-6-8-11/h4-8,14-15H,1-3H3
InChIKey HXTWPCTUCBRSKS-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyLX4wzffjH
Name 2,3-Dimethyl-5-phenylpent-4-yne-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-12(2,14)13(3,15)10-9-11-7-5-4-6-8-11/h4-8,14-15H,1-3H3
InChIKey HXTWPCTUCBRSKS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301628n
Molecular Weight 204.269 g/mol
SMILES OC(C(C)(O)C)(C)C#Cc1ccccc1
SPLASH splash10-000t-1900000000-01b816e5194af7fd74b7
Source of Spectrum J-77-8666-3a
Synonyms 2,3-Dimethyl-5-phenyl-4-pentyne-2,3-diol
Wiley ID 1747079