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3-(2,6-dichlorophenyl)-5-methylthio-4-isoxazolecarbamic acid, s-(4-tert-butyl-4H-1,2,4-triazol-3-yl)ester
SpectraBase Compound ID LcRRIczIaIk
InChI InChI=1S/C17H17Cl2N5O2S/c1-9-13(14(23-26-9)12-10(18)6-5-7-11(12)19)21-16(25)27-15-22-20-8-24(15)17(2,3)4/h5-8H,1-4H3,(H,21,25)
InChIKey WLCRHLNBEXCZHU-UHFFFAOYSA-N
Mol Weight 426.32 g/mol
Molecular Formula C17H17Cl2N5O2S
Exact Mass 425.048001 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JVCkI2S1NRs
Name 3-(2,6-DICHLOROPHENYL)-5-METHYLTHIO-4-ISOXAZOLECARBAMIC ACID, S-(4-tert-BUTYL-4H-1,2,4-TRIAZOL-3-YL) ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 8744
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl2N5O2S
InChI InChI=1S/C17H17Cl2N5O2S/c1-9-13(14(23-26-9)12-10(18)6-5-7-11(12)19)21-16(25)27-15-22-20-8-24(15)17(2,3)4/h5-8H,1-4H3,(H,21,25)
InChIKey WLCRHLNBEXCZHU-UHFFFAOYSA-N
Melting Point 137-141C
Molecular Weight 426.316010
Synonyms 4-ISOXAZOLECARBAMIC ACID, 3-/2,6-DI- CHLOROPHENYL/-5-METHYLTHIO-, S-/4-TERT- BUTYL-4H-1,2,4-TRIAZOL-3-YL/ ESTER
Technique FILM (CAST FROM CHCl3)