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4-Hydroxy-3-methoxy-5-[2-(pyridyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile
SpectraBase Compound ID 5ApkA9VQHD4
InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)
InChIKey ALDCNHLMTCRENB-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 312ysJFbPyN
Name 4-Hydroxy-3-methoxy-5-[2-(pyridyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O3S
InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)
InChIKey ALDCNHLMTCRENB-UHFFFAOYSA-N
Molecular Weight 341.385 g/mol
SMILES Oc1c(cc(C=C(C(=O)N)C#N)cc1OC)CSc1ncccc1
SPLASH splash10-03di-0902000000-b62f340253b15b4a0296
Source of Spectrum E1-36-3561-16
Synonyms (2Z)-2-cyano-3-{4-hydroxy-3-methoxy-5-[(2-pyridinylsulfanyl)methyl]phenyl}-2-propenamide
Wiley ID 1574793