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3,3-dimethyl-1-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]-2-butanone

View entire compound with spectra: 3 NMR, and 1 FTIR

3,3-dimethyl-1-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]-2-butanone
SpectraBase Compound ID 5E0Dhk4Gwrm
InChI InChI=1S/C14H15F3N4O/c1-13(2,3)11(22)8-21-19-12(18-20-21)9-5-4-6-10(7-9)14(15,16)17/h4-7H,8H2,1-3H3
InChIKey PQPBMRWVDBIROL-UHFFFAOYSA-N
Mol Weight 312.3 g/mol
Molecular Formula C14H15F3N4O
Exact Mass 312.119796 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 31iajrTiDJ2
Name 3,3-DIMETHYL-1-[5-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-2H-TETRAZOL-2-YL]-2-BUTANONE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F3N4O
InChI InChI=1S/C14H15F3N4O/c1-13(2,3)11(22)8-21-19-12(18-20-21)9-5-4-6-10(7-9)14(15,16)17/h4-7H,8H2,1-3H3
InChIKey PQPBMRWVDBIROL-UHFFFAOYSA-N
Melting Point 67-69C
Molecular Weight 312.30
Technique FILM (CAST FROM CHCl3)