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2,5-Dimethyl-7-(2-methylphenyl)-3-heptyne-2,5-diol
SpectraBase Compound ID 3tGsf0l4rdj
InChI InChI=1S/C16H22O2/c1-13-7-5-6-8-14(13)9-10-16(4,18)12-11-15(2,3)17/h5-8,17-18H,9-10H2,1-4H3
InChIKey RTMFRBIOJCIHCU-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TTmpHXmT9Z
Name 2,5-Dimethyl-7-(2-methylphenyl)-3-heptyne-2,5-diol
CAS Registry Number 127459-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-13-7-5-6-8-14(13)9-10-16(4,18)12-11-15(2,3)17/h5-8,17-18H,9-10H2,1-4H3
InChIKey RTMFRBIOJCIHCU-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES OC(C#CC(CCc1c(C)cccc1)(O)C)(C)C
SPLASH splash10-0btc-5900000000-a426c05a7f657caafcae
Source of Spectrum H-72-1550-52
Synonyms 2,5-Dimethyl-7-(2-methylphenyl)hept-3-yne-2,5-diol 2,5-Dimethyl-7-(o-tolyl)hept-3-yne-2,5-diol
Wiley ID 1249399