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[(4-CYCLOHEXYL-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ACETIC ACID
SpectraBase Compound ID KPQdRPmNUgL
InChI InChI=1S/C16H19N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,20,21)
InChIKey JKCUSBHMFHSQPQ-UHFFFAOYSA-N
Mol Weight 317.41 g/mol
Molecular Formula C16H19N3O2S
Exact Mass 317.119798 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EHcDEpsSU5t
Name [(4-CYCLOHEXYL-5-PHENYL-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 C16H19N3O2S
InChI InChI=1S/C16H19N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,20,21)
InChIKey JKCUSBHMFHSQPQ-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 68, 105106(1968)
Melting Point 212-214C
Molecular Weight 317.407013
Synonyms ACETIC ACID, //4-CYCLOHEXYL-5- PHENYL-4H-1,2,4-TRIAZOL-3-YL/THIO/-,
Technique KBr WAFER