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5-Amino-7-(4-chlorophenyl)-2-(cyanomethyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID 8BnaOPGKMkb
InChI InChI=1S/C15H10ClN5S/c16-9-3-1-8(2-4-9)12-10(7-18)14(19)21-15-13(12)22-11(20-15)5-6-17/h1-4,12,21H,5,19H2
InChIKey LAEPFFRWIGKQAP-UHFFFAOYSA-N
Mol Weight 327.79 g/mol
Molecular Formula C15H10ClN5S
Exact Mass 327.034544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qP7DP2qeGE
Name 5-Amino-7-(4-chlorophenyl)-2-(cyanomethyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Pale green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10ClN5S
InChI InChI=1S/C15H10ClN5S/c16-9-3-1-8(2-4-9)12-10(7-18)14(19)21-15-13(12)22-11(20-15)5-6-17/h1-4,12,21H,5,19H2
InChIKey LAEPFFRWIGKQAP-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 A or Shimadzu QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3870
Molecular Weight 327.793 g/mol
SMILES N1c2c(C(C(=C1N)C#N)c1ccc(cc1)Cl)sc(n2)CC#N
SPLASH splash10-0002-0900000000-1a3009dc8f68247626db
Source of Spectrum Y-57-1339-6c
Wiley ID 1860092