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1-[2-(Propylthio)phenyl]-3-(2-tolyl)prop-2-yn-1-one
SpectraBase Compound ID IvZZ01ljuw8
InChI InChI=1S/C19H18OS/c1-3-14-21-19-11-7-6-10-17(19)18(20)13-12-16-9-5-4-8-15(16)2/h4-11H,3,14H2,1-2H3
InChIKey YIFBVSZXQDEODH-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C19H18OS
Exact Mass 294.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJ2sADhYLNY
Name 1-[2-(Propylthio)phenyl]-3-(2-tolyl)prop-2-yn-1-one
Appearance Orange solid
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Exact Mass 294.107836373 u
Formula C19H18OS
InChI InChI=1S/C19H18OS/c1-3-14-21-19-11-7-6-10-17(19)18(20)13-12-16-9-5-4-8-15(16)2/h4-11H,3,14H2,1-2H3
InChIKey YIFBVSZXQDEODH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 294.412 g/mol
Reported Formula C19H18OS
SMILES C=1C=CC(=C(C(C#CC2=C(C=CC=C2)C)=O)C1)SCCC
SPLASH splash10-0udi-0090000000-d69d21e8e6c0c65bf761
Source of Spectrum CCC-15-SM6-1d (DOI: 10.1002/cctc.202201557)
Wiley ID 1910132