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Ethanehydrazonothioic acid, N-(4-methylphenyl)-2-oxo-2-(phenylamino)-, 4-methyl-4H-1,2,4-triazol-3-yl ester
SpectraBase Compound ID JQvDW2O36Zc
InChI InChI=1S/C18H18N6OS/c1-13-8-10-15(11-9-13)21-22-17(26-18-23-19-12-24(18)2)16(25)20-14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,25)/b22-17-
InChIKey KWRSBQWHKDAYMO-XLNRJJMWSA-N
Mol Weight 366.44 g/mol
Molecular Formula C18H18N6OS
Exact Mass 366.12628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lqg3TCeP8D5
Name Ethanehydrazonothioic acid, N-(4-methylphenyl)-2-oxo-2-(phenylamino)-, 4-methyl-4H-1,2,4-triazol-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.126280397 u
Formula C18H18N6OS
InChI InChI=1S/C18H18N6OS/c1-13-8-10-15(11-9-13)21-22-17(26-18-23-19-12-24(18)2)16(25)20-14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,25)/b22-17-
InChIKey KWRSBQWHKDAYMO-XLNRJJMWSA-N
Molecular Weight 366.443 g/mol
SMILES C=1(S\C(C(NC2=CC=CC=C2)=O)=N\NC2=CC=C(C)C=C2)N(C=NN1)C