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{[5-(m-CHLOROPHENYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID

View entire compound with spectra: 1 FTIR

{[5-(m-CHLOROPHENYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID
SpectraBase Compound ID D7xPlyXYbBq
InChI InChI=1S/C13H14ClN3O2S/c1-8(2)17-12(9-4-3-5-10(14)6-9)15-16-13(17)20-7-11(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKey BTRKIEWWQNTZDL-UHFFFAOYSA-N
Mol Weight 311.79 g/mol
Molecular Formula C13H14ClN3O2S
Exact Mass 311.049526 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4pKgcioXgfG
Name {[5-(m-CHLOROPHENYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID
Source of Sample M. H. Shah, Haffkine Institute, Bombay, India
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClN3O2S
InChI InChI=1S/C13H14ClN3O2S/c1-8(2)17-12(9-4-3-5-10(14)6-9)15-16-13(17)20-7-11(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKey BTRKIEWWQNTZDL-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 68, 105106(1968)
Melting Point 168-169C
Molecular Weight 311.783997
Synonyms ACETIC ACID, //5-/M-CHLOROPHENYL/- 4-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL/- THIO/-,
Technique KBr WAFER