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2,6-Diamino-4-(4-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID 1YOCEmHmhqT
InChI InChI=1S/C14H12N4S/c1-8-2-4-9(5-3-8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3
InChIKey UIDSWGMVWAPTJV-UHFFFAOYSA-N
Mol Weight 268.34 g/mol
Molecular Formula C14H12N4S
Exact Mass 268.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQJ65BXawuf
Name 2,6-bis(azanyl)-4-(4-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile
CAS Registry Number 127118-56-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H12N4S
InChI InChI=1S/C14H12N4S/c1-8-2-4-9(5-3-8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3
InChIKey UIDSWGMVWAPTJV-UHFFFAOYSA-N
Molecular Weight 268.338 g/mol
SMILES NC1=C(C(C(=C(S1)N)C#N)c1ccc(cc1)C)C#N
SPLASH splash10-004i-0940000000-f2429d4d445aa63f3806
Source of Spectrum H1-52-337-2
Synonyms 2,6-Diamino-4-(4-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile 2,6-diamino-4-(p-tolyl)-4H-thiopyran-3,5-dicarbonitrile 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methylphenyl)-
Wiley ID 817588