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trans-alpha-{{5-[2-(p-CHLOROANILINO)VINYL]-4-CYANO-3-ISOTHIAZOLYL}THIO}-o-TOLUIC ACID, METHYL ESTER
SpectraBase Compound ID 64UHSOpaRRx
InChI InChI=1S/C21H16ClN3O2S2/c1-27-21(26)17-5-3-2-4-14(17)13-28-20-18(12-23)19(29-25-20)10-11-24-16-8-6-15(22)7-9-16/h2-11,24H,13H2,1H3/b11-10+
InChIKey YSOVOWPNXDXPKE-ZHACJKMWSA-N
Mol Weight 441.95 g/mol
Molecular Formula C21H16ClN3O2S2
Exact Mass 441.037247 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JxmLMZZFYX3
Name trans-alpha-{{5-[2-(p-CHLOROANILINO)VINYL]-4-CYANO-3-ISOTHIAZOLYL}THIO}-o-TOLUIC ACID, METHYL ESTER
Source of Sample BIONET RESEARCH LTD., CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClN3O2S2
InChI InChI=1S/C21H16ClN3O2S2/c1-27-21(26)17-5-3-2-4-14(17)13-28-20-18(12-23)19(29-25-20)10-11-24-16-8-6-15(22)7-9-16/h2-11,24H,13H2,1H3/b11-10+
InChIKey YSOVOWPNXDXPKE-ZHACJKMWSA-N
Melting Point 190-192C
Molecular Weight 441.96
Technique KBr WAFER