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4-(p-methoxyphenyl)-5-(phenacylthio)-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide

View entire compound with spectra: 1 FTIR, and 1 UV-Vis

4-(p-methoxyphenyl)-5-(phenacylthio)-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide
SpectraBase Compound ID 97yOLRBN9UN
InChI InChI=1S/C19H16N4O2S.BrH/c1-25-16-9-7-15(8-10-16)23-18(11-12-20)21-22-19(23)26-13-17(24)14-5-3-2-4-6-14;/h2-10H,11,13H2,1H3;1H
InChIKey KCVRCFQJNDBWHM-UHFFFAOYSA-N
Mol Weight 445.34 g/mol
Molecular Formula C19H17BrN4O2S
Exact Mass 444.02556 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3U7zRECgZyt
Name 4-(p-METHOXYPHENYL)-5-(PHENACYLTHIO)-4H-1,2,4-TRIAZOLE-3-ACETONITRILE, MONOHYDROBROMIDE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number HR 194
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17BrN4O2S
InChI InChI=1S/C19H16N4O2S.BrH/c1-25-16-9-7-15(8-10-16)23-18(11-12-20)21-22-19(23)26-13-17(24)14-5-3-2-4-6-14;/h2-10H,11,13H2,1H3;1H
InChIKey KCVRCFQJNDBWHM-UHFFFAOYSA-N
Melting Point 188-190C
Molecular Weight 445.341003
Synonyms TRIAZOLE-3-ACETONITRILE, 4H-1,2,4-, 4-/P-METHOXYPHENYL/-5-/PHENACYLTHIO/-, MONOHYDROBROMIDE
Technique KBr WAFER