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2,6-Di-tert-butyl-4-(3-phenylprop-2-yn-1-ylidene) cyclohexa-2,5-dien-1-one
SpectraBase Compound ID IHxStOPfHvr
InChI InChI=1S/C23H26O/c1-22(2,3)19-15-18(16-20(21(19)24)23(4,5)6)14-10-13-17-11-8-7-9-12-17/h7-9,11-12,14-16H,1-6H3
InChIKey MNIOKCQCAQZBGO-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C23H26O
Exact Mass 318.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WMIed5K9Bz
Name 2,6-Di-tert-butyl-4-(3-phenylprop-2-yn-1-ylidene) cyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O
InChI InChI=1S/C23H26O/c1-22(2,3)19-15-18(16-20(21(19)24)23(4,5)6)14-10-13-17-11-8-7-9-12-17/h7-9,11-12,14-16H,1-6H3
InChIKey MNIOKCQCAQZBGO-UHFFFAOYSA-N
Instrument Name GCMS-QP2010 SE
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c02003
Molecular Weight 318.460 g/mol
SMILES C(C1=CC(C=C(C1=O)C(C)(C)C)=CC#Cc1ccccc1)(C)(C)C
SPLASH splash10-0j4i-0196000000-f77bbca97138e12c5535
Source of Spectrum A1-23-SM3-1l
Wiley ID 1868092