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5-(4-Methylbenzoyl)-3-phenylisothiazole
SpectraBase Compound ID IpeTgh5Q5O8
InChI InChI=1S/C17H13NOS/c1-12-7-9-14(10-8-12)17(19)16-11-15(18-20-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey QCAUSVKCLGIUOU-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C17H13NOS
Exact Mass 279.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLI3cFimqeF
Name 5-(4-Methylbenzoyl)-3-phenylisothiazole
Alternate Name(s) (4-methylphenyl)(3-phenyl-5-isothiazolyl)methanone
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Formula C17H13NOS
InChI InChI=1S/C17H13NOS/c1-12-7-9-14(10-8-12)17(19)16-11-15(18-20-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey QCAUSVKCLGIUOU-UHFFFAOYSA-N
Molecular Weight 279.357 g/mol
SMILES c1(cc(-c2ccccc2)ns1)C(c1ccc(cc1)C)=O
SPLASH splash10-05r0-5940000000-e85c2722849babf96e47
Source of Spectrum KC-0-2251-10
Wiley ID 823071