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5-Benzoyl-3-phenylthioisothiazole
SpectraBase Compound ID FVdqd2A6gKP
InChI InChI=1S/C16H11NOS2/c18-16(12-7-3-1-4-8-12)14-11-15(17-20-14)19-13-9-5-2-6-10-13/h1-11H
InChIKey LHEHGXQHWLIDOP-UHFFFAOYSA-N
Mol Weight 297.39 g/mol
Molecular Formula C16H11NOS2
Exact Mass 297.028206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x6pFgMSuBV
Name 5-Benzoyl-3-phenylthioisothiazole
Alternate Name(s) phenyl[3-(phenylsulfanyl)-5-isothiazolyl]methanone phenyl-[3-(phenylthio)-5-isothiazolyl]methanone phenyl-(3-phenylsulfanylisothiazol-5-yl)methanone phenyl-(3-phenylsulfanyl-1,2-thiazol-5-yl)methanone
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Formula C16H11NOS2
InChI InChI=1S/C16H11NOS2/c18-16(12-7-3-1-4-8-12)14-11-15(17-20-14)19-13-9-5-2-6-10-13/h1-11H
InChIKey LHEHGXQHWLIDOP-UHFFFAOYSA-N
Molecular Weight 297.390 g/mol
SMILES c1(nsc(c1)C(c1ccccc1)=O)Sc1ccccc1
SPLASH splash10-056s-6940000000-eb440d38e41b569f8c33
Source of Spectrum K-2001-1312-14
Wiley ID 1579011