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5-Amino-7-(4-chlorophenyl)-2-(cyanomethyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
SpectraBase Compound ID F6Wzf46lErt
InChI InChI=1S/C15H9ClN4OS/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/h1-4,12H,5,19H2
InChIKey SEHYOFLQULFKEK-UHFFFAOYSA-N
Mol Weight 328.78 g/mol
Molecular Formula C15H9ClN4OS
Exact Mass 328.01856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0SeNkMLHI9
Name 5-Amino-7-(4-chlorophenyl)-2-(cyanomethyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClN4OS
InChI InChI=1S/C15H9ClN4OS/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/h1-4,12H,5,19H2
InChIKey SEHYOFLQULFKEK-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 328.777 g/mol
SMILES NC=1Oc2c(C(C1C#N)c1ccc(cc1)Cl)sc(n2)CC#N
SPLASH splash10-014i-9000000000-f647da344adbdf7bfb1b
Source of Spectrum Y-57-1338-5c
Wiley ID 1860088