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2H-Thiopyran-5-carbonitrile, 6-amino-2-[(4-chlorophenyl)imino]-4-phenyl-
SpectraBase Compound ID 5y0zrB4RNvo
InChI InChI=1S/C18H12ClN3S/c19-13-6-8-14(9-7-13)22-17-10-15(12-4-2-1-3-5-12)16(11-20)18(21)23-17/h1-10H,21H2/b22-17-
InChIKey VQUGKJAJSRJZFD-XLNRJJMWSA-N
Mol Weight 337.83 g/mol
Molecular Formula C18H12ClN3S
Exact Mass 337.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XsiplKSHni
Name 2H-Thiopyran-5-carbonitrile, 6-amino-2-[(4-chlorophenyl)imino]-4-phenyl-
Alternate Name(s) (2Z)-6-amino-2-[(4-chlorophenyl)imino]-4-phenyl-2H-thiopyran-5-carbonitrile 2-p-chlorophenylimino-4-phenyl-5-cyano-2H-thiopyran
CAS Registry Number 89815-88-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClN3S
InChI InChI=1S/C18H12ClN3S/c19-13-6-8-14(9-7-13)22-17-10-15(12-4-2-1-3-5-12)16(11-20)18(21)23-17/h1-10H,21H2/b22-17-
InChIKey VQUGKJAJSRJZFD-XLNRJJMWSA-N
Molecular Weight 337.828 g/mol
SMILES NC1=C(C(=C\C(=N\c2ccc(cc2)Cl)S1)c1ccccc1)C#N
SPLASH splash10-0udi-0092000000-e1fcae7b5922c0ff00b7
Source of Spectrum AH-114-1194-0
Wiley ID 1333052