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3-Cyano-4-imino-2-methylthio-8-methyl-4H-pyrimido[2,1-b][1,3]benzothiazole
SpectraBase Compound ID 1vwJg2RyEbg
InChI InChI=1S/C13H10N4S2/c1-7-3-4-9-10(5-7)19-13-16-12(18-2)8(6-14)11(15)17(9)13/h3-5,15H,1-2H3
InChIKey DDBCPERVGNHJCE-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C13H10N4S2
Exact Mass 286.034689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAH8KLSWuS3
Name 3-Cyano-4-imino-2-methylthio-8-methyl-4H-pyrimido[2,1-b][1,3]benzothiazole
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N4S2
InChI InChI=1S/C13H10N4S2/c1-7-3-4-9-10(5-7)19-13-16-12(18-2)8(6-14)11(15)17(9)13/h3-5,15H,1-2H3
InChIKey DDBCPERVGNHJCE-UHFFFAOYSA-N
Instrument Name FT VG-7070 H
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a22
SMILES N=C1C(C#N)=C(N=C2Sc3c(N12)ccc(c3)C)SC
SPLASH splash10-000i-0090000000-0c248a9d37b9be013538
Source of Spectrum ARK-2006-194-5
Wiley ID 1871143