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4-tert-butyl-3-[(2-chloro-6-fluorobenzyl)thio]-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 UV-Vis

4-tert-butyl-3-[(2-chloro-6-fluorobenzyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID KVk5XEQQ7xn
InChI InChI=1S/C13H15ClFN3S/c1-13(2,3)18-8-16-17-12(18)19-7-9-10(14)5-4-6-11(9)15/h4-6,8H,7H2,1-3H3
InChIKey YXFYQXHBANFHSM-UHFFFAOYSA-N
Mol Weight 299.8 g/mol
Molecular Formula C13H15ClFN3S
Exact Mass 299.065925 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9sfn8GNxrOE
Name 4-tert-BUTYL-3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 7589
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClFN3S
InChI InChI=1S/C13H15ClFN3S/c1-13(2,3)18-8-16-17-12(18)19-7-9-10(14)5-4-6-11(9)15/h4-6,8H,7H2,1-3H3
InChIKey YXFYQXHBANFHSM-UHFFFAOYSA-N
Melting Point 140-142C
Molecular Weight 299.794006
Synonyms TRIAZOLE, 4H-1,2,4-, 4-TERT-BUTYL- 3-//2-CHLORO-6-FLUOROBENZYL/THIO/-,
Technique KBr WAFER