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5-Amino-2-(cyanomethyl)-7-(4-methoxyphenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
SpectraBase Compound ID JIRPs4rYtmR
InChI InChI=1S/C16H12N4O2S/c1-21-10-4-2-9(3-5-10)13-11(8-18)15(19)22-16-14(13)23-12(20-16)6-7-17/h2-5,13H,6,19H2,1H3
InChIKey GYWMMWUTUXIQLR-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C16H12N4O2S
Exact Mass 324.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ek8VlYbWkC
Name 5-Amino-2-(cyanomethyl)-7-(4-methoxyphenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O2S
InChI InChI=1S/C16H12N4O2S/c1-21-10-4-2-9(3-5-10)13-11(8-18)15(19)22-16-14(13)23-12(20-16)6-7-17/h2-5,13H,6,19H2,1H3
InChIKey GYWMMWUTUXIQLR-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 324.358 g/mol
SMILES NC=1Oc2c(C(C1C#N)c1ccc(cc1)OC)sc(n2)CC#N
SPLASH splash10-0006-0090000000-f2488cc2217be0e19951
Source of Spectrum Y-57-1338-5e
Wiley ID 1860089