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trans-5-[2-(2-FLUORO-4-HYDROXYANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
SpectraBase Compound ID 8od0eju6533
InChI InChI=1S/C13H10FN3OS2/c1-19-13-9(7-15)12(20-17-13)4-5-16-11-3-2-8(18)6-10(11)14/h2-6,16,18H,1H3/b5-4+
InChIKey ZGOCFEKOTALQHL-SNAWJCMRSA-N
Mol Weight 307.36 g/mol
Molecular Formula C13H10FN3OS2
Exact Mass 307.024932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1zFb7Nq2DcN
Name trans-5-[2-(2-FLUORO-4-HYDROXYANILINO)VINYL]-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10FN3OS2
InChI InChI=1S/C13H10FN3OS2/c1-19-13-9(7-15)12(20-17-13)4-5-16-11-3-2-8(18)6-10(11)14/h2-6,16,18H,1H3/b5-4+
InChIKey ZGOCFEKOTALQHL-SNAWJCMRSA-N
Instrument Name BRUKER AC-300
Melting Point 168-170C (dec.)
Molecular Weight 307.37
Solvent DMSO-d6; Reference=TMS; Temperature 297K