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2-(1-Cyano-1-phenyl)methylidene-1-methyl-4-(methylthio)-4(1H)-quinazoline
SpectraBase Compound ID 1ldnZ3PBHkm
InChI InChI=1S/C18H15N3S/c1-21-16-11-7-6-10-14(16)18(22-2)20-17(21)15(12-19)13-8-4-3-5-9-13/h3-11H,1-2H3/b17-15+
InChIKey FQGJWWFURNDKFO-BMRADRMJSA-N
Mol Weight 305.4 g/mol
Molecular Formula C18H15N3S
Exact Mass 305.098669 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IaUBAI1YlAN
Name 2-(1-Cyano-1-phenyl)methylidene-1-methyl-4-(methylthio)-4(1H)-quinazoline
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 305.098668669 u
Formula C18H15N3S
InChI InChI=1S/C18H15N3S/c1-21-16-11-7-6-10-14(16)18(22-2)20-17(21)15(12-19)13-8-4-3-5-9-13/h3-11H,1-2H3/b17-15+
InChIKey FQGJWWFURNDKFO-BMRADRMJSA-N
Molecular Weight 305.399 g/mol
SMILES C1(=N\C(N(C=2C1=CC=CC2)C)=C\(C#N)C1=CC=CC=C1)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923998