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4-Hydroxy-3-methoxy-5-[(2-chlorobenzylthio)methyl]-.alpha.-carboxamidocinnamonitrile
SpectraBase Compound ID 8faFR8FWyuU
InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6-
InChIKey SOENYCXOSGATJG-NSIKDUERSA-N
Mol Weight 388.87 g/mol
Molecular Formula C19H17ClN2O3S
Exact Mass 388.064841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je58RHRTgCZ
Name 4-Hydroxy-3-methoxy-5-[(2-chlorobenzylthio)methyl]-.alpha.-carboxamidocinnamonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClN2O3S
InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6-
InChIKey SOENYCXOSGATJG-NSIKDUERSA-N
Molecular Weight 388.869 g/mol
SMILES Oc1c(cc(\C=C/(C(=O)N)C#N)cc1OC)CSCc1c(Cl)cccc1
SPLASH splash10-0059-0962000000-717091768709c45bbda1
Source of Spectrum E1-36-3560-4
Synonyms (2Z)-3-(3-{[(2-chlorobenzyl)sulfanyl]methyl}-4-hydroxy-5-methoxyphenyl)-2-cyano-2-propenamide
Wiley ID 1574803