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2-methoxy-4-{N-[m-(methylthio)phenyl]formimidoyl}phenol, 2,4,5-trichlorobenzene sulfonate
SpectraBase Compound ID EPMwkQ7dpzu
InChI InChI=1S/C21H16Cl3NO4S2/c1-28-20-8-13(12-25-14-4-3-5-15(9-14)30-2)6-7-21(20)31(26,27)29-19-11-17(23)16(22)10-18(19)24/h3-12H,1-2H3/b25-12+
InChIKey BABKNZXDAWWMKZ-BRJLIKDPSA-N
Mol Weight 516.84 g/mol
Molecular Formula C21H16Cl3NO4S2
Exact Mass 514.958633 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C089RhrXx38
Name 2-METHOXY-4-{N-[m-(METHYLTHIO)PHENYL]FORMIMIDOYL}PHENOL,2,4,5-TRICHLOROBENZENESULFONATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Cl3NO4S2
InChI InChI=1S/C21H16Cl3NO4S2/c1-28-20-8-13(12-25-14-4-3-5-15(9-14)30-2)6-7-21(20)31(26,27)29-19-11-17(23)16(22)10-18(19)24/h3-12H,1-2H3/b25-12+
InChIKey BABKNZXDAWWMKZ-BRJLIKDPSA-N
Melting Point 118-120C
Molecular Weight 516.85
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PHENOL, 2-METHOXY-4-/N-/M-/METHYLTHIO/PHENYL/FORMIMIDOYL/-, 2,4,5-TRICHLOROBENZENESULFONATE