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3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolemethanol, 3,5-bis(trifluoromethyl)benzoate (ester)

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

3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolemethanol, 3,5-bis(trifluoromethyl)benzoate (ester)
SpectraBase Compound ID 3VQehhjHqqf
InChI InChI=1S/C17H11F6N3O3S/c1-7-12(13(29-25-7)14-8(2)24-26-30-14)6-28-15(27)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-5H,6H2,1-2H3
InChIKey FOTRWCVLDZJVLU-UHFFFAOYSA-N
Mol Weight 451.34 g/mol
Molecular Formula C17H11F6N3O3S
Exact Mass 451.042531 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ED0ADRBfFxk
Name 3-METHYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4-ISOXAZOLEMETHANOL, 3,5-BIS(TRIFLUOROMETHYL)BENZOATE (ESTER)
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F6N3O3S
InChI InChI=1S/C17H11F6N3O3S/c1-7-12(13(29-25-7)14-8(2)24-26-30-14)6-28-15(27)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-5H,6H2,1-2H3
InChIKey FOTRWCVLDZJVLU-UHFFFAOYSA-N
Molecular Weight 451.35
Technique KBr WAFER