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1-keto-3-phenyl-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
SpectraBase Compound ID CjVLJYQ65iX
InChI InChI=1S/C18H10N2OS/c19-11-14-13(12-6-2-1-3-7-12)10-17(21)20-15-8-4-5-9-16(15)22-18(14)20/h1-10H
InChIKey VJVYEKQYGOWHBE-UHFFFAOYSA-N
Mol Weight 302.35 g/mol
Molecular Formula C18H10N2OS
Exact Mass 302.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31lUhSKJp3f
Name 1-keto-3-phenyl-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
Alternate Name(s) 1-oxidanylidene-3-phenyl-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile 1-oxo-3-phenyl-4-pyrido[2,1-b][1,3]benzothiazolecarbonitrile 1-oxo-3-phenyl-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H10N2OS
InChI InChI=1S/C18H10N2OS/c19-11-14-13(12-6-2-1-3-7-12)10-17(21)20-15-8-4-5-9-16(15)22-18(14)20/h1-10H
InChIKey VJVYEKQYGOWHBE-UHFFFAOYSA-N
Molecular Weight 302.351 g/mol
SMILES C1=2N(C(=O)C=C(C2C#N)c2ccccc2)c2ccccc2S1
SPLASH splash10-004i-0093000000-0c317ee2c1f76835a821
Source of Spectrum F-54-9084-6
Wiley ID 808109