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4-(3'-Methylpropargyl)-2,4,6-trimethyl-cyclohexa-2,5-dien-1-one
SpectraBase Compound ID 4eWVlo2QtvK
InChI InChI=1S/C13H16O/c1-5-6-7-13(4)8-10(2)12(14)11(3)9-13/h8-9H,7H2,1-4H3
InChIKey COQCLXYYJJCWOF-UHFFFAOYSA-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 7siuZD2U45w
Name 4-(3'-Methylpropargyl)-2,4,6-trimethyl-cyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-5-6-7-13(4)8-10(2)12(14)11(3)9-13/h8-9H,7H2,1-4H3
InChIKey COQCLXYYJJCWOF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19720550408
Molecular Weight 188.270 g/mol
SMILES C1(C(=CC(C=C1C)(C)CC#CC)C)=O
SPLASH splash10-0f7c-9800000000-7afd9ca261648fb04db3
Source of Spectrum H-55-1134-14
Synonyms 4-(but-2-yn-1-yl)-2,4,6-trimethylcyclohexa-2,5-dien-1-one
Wiley ID 1797016