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5-Phenyl-6-methylthio-4-oxopyrimido[2,1-b]benzothiazole
SpectraBase Compound ID 9GnG8uPZBpC
InChI InChI=1S/C17H12N2OS2/c1-21-12-7-8-13-16(15(12)11-5-3-2-4-6-11)19-14(20)9-10-18-17(19)22-13/h2-10H,1H3
InChIKey DHGIJRMHGGNEJU-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C17H12N2OS2
Exact Mass 324.039105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab5A2DkpQyo
Name 5-Phenyl-6-methylthio-4-oxopyrimido[2,1-b]benzothiazole
Alternate Name(s) 7-(methylsulfanyl)-6-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2OS2
InChI InChI=1S/C17H12N2OS2/c1-21-12-7-8-13-16(15(12)11-5-3-2-4-6-11)19-14(20)9-10-18-17(19)22-13/h2-10H,1H3
InChIKey DHGIJRMHGGNEJU-UHFFFAOYSA-N
Molecular Weight 324.416 g/mol
SMILES C=12N(c3c(S2)ccc(c3-c2ccccc2)SC)C(C=CN1)=O
SPLASH splash10-00di-1029000000-f9853122e3ccf74478fe
Source of Spectrum AH-127-1278-4
Wiley ID 1323060