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5-(4-Methylbenzoyl)-3-(4-methylphenyl)isothiazole
SpectraBase Compound ID tkQVcDlz3a
InChI InChI=1S/C18H15NOS/c1-12-3-7-14(8-4-12)16-11-17(21-19-16)18(20)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKey BAZXHQGFGQOWDX-UHFFFAOYSA-N
Mol Weight 293.38 g/mol
Molecular Formula C18H15NOS
Exact Mass 293.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hplyR1dFLN
Name 5-(4-Methylbenzoyl)-3-(4-methylphenyl)isothiazole
Alternate Name(s) (4-methylphenyl)[3-(4-methylphenyl)-5-isothiazolyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NOS
InChI InChI=1S/C18H15NOS/c1-12-3-7-14(8-4-12)16-11-17(21-19-16)18(20)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKey BAZXHQGFGQOWDX-UHFFFAOYSA-N
Molecular Weight 293.384 g/mol
SMILES c1(nsc(c1)C(c1ccc(cc1)C)=O)-c1ccc(cc1)C
SPLASH splash10-00kf-3890000000-47101353866cbeeb8595
Source of Spectrum KC-0-1620-0
Wiley ID 822567