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threo-2-(1'-Methylpropargyl)-2,4,6-trimethylcyclohexa-3,5-dien-1-one
SpectraBase Compound ID AknQOSHVLez
InChI InChI=1S/C13H16O/c1-6-11(4)13(5)8-9(2)7-10(3)12(13)14/h1,7-8,11H,2-5H3/t11-,13+/m0/s1
InChIKey UHBLUVVATNFPIT-WCQYABFASA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DHvUKO4LsH
Name threo-2-(1'-Methylpropargyl)-2,4,6-trimethylcyclohexa-3,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-6-11(4)13(5)8-9(2)7-10(3)12(13)14/h1,7-8,11H,2-5H3/t11-,13+/m0/s1
InChIKey UHBLUVVATNFPIT-WCQYABFASA-N
Literature Reference DOI 10.1002/hlca.19720550408
Molecular Weight 188.270 g/mol
SMILES C1([C@@](C=C(C=C1C)C)(C)[C@](C#C)(C)[H])=O
SPLASH splash10-000i-2900000000-e50655fed78338c5b857
Source of Spectrum H-55-1133-threo_8
Synonyms (R)-6-((S)-but-3-yn-2-yl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
Wiley ID 1797032