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4-Propargyl-2,4,6-trimethyl-cyclohexa-2,5-dien-1-one
SpectraBase Compound ID 8r7YvXhxVg4
InChI InChI=1S/C12H14O/c1-5-6-12(4)7-9(2)11(13)10(3)8-12/h1,7-8H,6H2,2-4H3
InChIKey OBTZUAWUSSWOAE-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwduUbmIXsU
Name 4-Propargyl-2,4,6-trimethyl-cyclohexa-2,5-dien-1-one
Alternate Name(s) 2,4,6-trimethyl-4-(prop-2-yn-1-yl)cyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-5-6-12(4)7-9(2)11(13)10(3)8-12/h1,7-8H,6H2,2-4H3
InChIKey OBTZUAWUSSWOAE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19720550408
Molecular Weight 174.243 g/mol
SMILES C1(C(=CC(C=C1C)(C)CC#C)C)=O
SPLASH splash10-000i-2900000000-2f796909dfb9ebe65a0e
Source of Spectrum H-55-1133-11
Wiley ID 1797014