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3-(3,5-Dichlorosalicylidene)dithiocarbazic acid, 2,6-dichlorobenzyl ester

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

3-(3,5-Dichlorosalicylidene)dithiocarbazic acid, 2,6-dichlorobenzyl ester
SpectraBase Compound ID 8dSAfpsYGJV
InChI InChI=1S/C15H10Cl4N2OS2/c16-9-4-8(14(22)13(19)5-9)6-20-21-15(23)24-7-10-11(17)2-1-3-12(10)18/h1-6,22H,7H2,(H,21,23)/b20-6+
InChIKey YGUFKBCALXELMX-CGOBSMCZSA-N
Mol Weight 440.2 g/mol
Molecular Formula C15H10Cl4N2OS2
Exact Mass 437.898866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0XNIVg10Cd
Name 3-(3,5-Dichlorosalicylidene)dithiocarbazic acid, 2,6-dichlorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.898866097 u
Formula C15H10Cl4N2OS2
InChI InChI=1S/C15H10Cl4N2OS2/c16-9-4-8(14(22)13(19)5-9)6-20-21-15(23)24-7-10-11(17)2-1-3-12(10)18/h1-6,22H,7H2,(H,21,23)/b20-6+
InChIKey YGUFKBCALXELMX-CGOBSMCZSA-N
Molecular Weight 440.190 g/mol
SMILES N(\N=C\C=1C(=C(C=C(C1)Cl)Cl)O)C(=S)SCC=1C(Cl)=CC=CC1Cl