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Acetic acid, 2-(4-bromophenylhydrazono)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-, ethyl ester

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Acetic acid, 2-(4-bromophenylhydrazono)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-, ethyl ester
SpectraBase Compound ID KDnvmo4nhMf
InChI InChI=1S/C13H14BrN5O2S/c1-3-21-12(20)11(22-13-18-15-8-19(13)2)17-16-10-6-4-9(14)5-7-10/h4-8,16H,3H2,1-2H3/b17-11+
InChIKey HTCBSTSMWLVSBR-GZTJUZNOSA-N
Mol Weight 384.25 g/mol
Molecular Formula C13H14BrN5O2S
Exact Mass 383.005159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKvryYA7caN
Name Acetic acid, 2-(4-bromophenylhydrazono)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.005158883 u
Formula C13H14BrN5O2S
InChI InChI=1S/C13H14BrN5O2S/c1-3-21-12(20)11(22-13-18-15-8-19(13)2)17-16-10-6-4-9(14)5-7-10/h4-8,16H,3H2,1-2H3/b17-11+
InChIKey HTCBSTSMWLVSBR-GZTJUZNOSA-N
Molecular Weight 384.252 g/mol
SMILES C=1(S\C(=N\NC2=CC=C(C=C2)Br)C(=O)OCC)N(C=NN1)C