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trans-p-{{2-[4-CYANO-3-(METHYLTHIO)-5-ISOTHIAZOLYL]VINYL}AMINO}BENZOIC ACID

View entire compound with spectra: 1 NMR, and 1 FTIR

trans-p-{{2-[4-CYANO-3-(METHYLTHIO)-5-ISOTHIAZOLYL]VINYL}AMINO}BENZOIC ACID
SpectraBase Compound ID H8meN1jcHhi
InChI InChI=1S/C14H11N3O2S2/c1-20-13-11(8-15)12(21-17-13)6-7-16-10-4-2-9(3-5-10)14(18)19/h2-7,16H,1H3,(H,18,19)/b7-6+
InChIKey RTUHRLPKTRDLJO-VOTSOKGWSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BjS9W0cxGF
Name trans-p-{{2-[4-CYANO-3-(METHYLTHIO)-5-ISOTHIAZOLYL]VINYL}AMINO}BENZOIC ACID
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O2S2
InChI InChI=1S/C14H11N3O2S2/c1-20-13-11(8-15)12(21-17-13)6-7-16-10-4-2-9(3-5-10)14(18)19/h2-7,16H,1H3,(H,18,19)/b7-6+
InChIKey RTUHRLPKTRDLJO-VOTSOKGWSA-N
Instrument Name BRUKER AC-300
Melting Point 263-265C (dec.)
Molecular Weight 317.39
Solvent DMSO-d6; Reference=TMS; Temperature 297K