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4-tert-butyl-3-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID 1bDfodkJjyx
InChI InChI=1S/C13H13F3N4O2S/c1-12(2,3)19-7-17-18-11(19)23-10-5-4-8(13(14,15)16)6-9(10)20(21)22/h4-7H,1-3H3
InChIKey ZHWYOISJUPVKGF-UHFFFAOYSA-N
Mol Weight 346.33 g/mol
Molecular Formula C13H13F3N4O2S
Exact Mass 346.071131 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID k8MkB31aJf
Name 4-tert-BUTYL-3-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)THIO]-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 7590
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N4O2S
InChI InChI=1S/C13H13F3N4O2S/c1-12(2,3)19-7-17-18-11(19)23-10-5-4-8(13(14,15)16)6-9(10)20(21)22/h4-7H,1-3H3
InChIKey ZHWYOISJUPVKGF-UHFFFAOYSA-N
Melting Point 204-206C
Molecular Weight 346.333008
Synonyms TRIAZOLE, 4H-1,2,4-, 4-TERT-BUTYL- 3-//2-NITRO-A,A,A-TRIFLUORO-P-TOLYL/- THIO/-,
Technique KBr WAFER