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3-(Naphthalen-2-yl)-1-[2-(propylthio)phenyl]prop-2-yn-1-one
SpectraBase Compound ID AhymKkkIgZi
InChI InChI=1S/C22H18OS/c1-2-15-24-22-10-6-5-9-20(22)21(23)14-12-17-11-13-18-7-3-4-8-19(18)16-17/h3-11,13,16H,2,15H2,1H3
InChIKey KEQBOCYRJJUCEF-UHFFFAOYSA-N
Mol Weight 330.45 g/mol
Molecular Formula C22H18OS
Exact Mass 330.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dQ165r3Jal
Name 3-(Naphthalen-2-yl)-1-[2-(propylthio)phenyl]prop-2-yn-1-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.107836373 u
Formula C22H18OS
InChI InChI=1S/C22H18OS/c1-2-15-24-22-10-6-5-9-20(22)21(23)14-12-17-11-13-18-7-3-4-8-19(18)16-17/h3-11,13,16H,2,15H2,1H3
InChIKey KEQBOCYRJJUCEF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 330.445 g/mol
Reported Formula C22H18OS
SMILES C=1C=CC(=C(C(C#CC2=CC=C3C(=C2)C=CC=C3)=O)C1)SCCC
SPLASH splash10-000i-0090000000-7767e5d72d28479ee899
Source of Spectrum CCC-15-SM6-1f (DOI: 10.1002/cctc.202201557)
Wiley ID 1910134