For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-METHYL-4-{1-[(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)SULFONYL]PYRAZOL-5-YL}-3-ISOXAZOLECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 92Kz3ocBz8n
InChI InChI=1S/C16H12F3N3O5S/c1-9-13(14(21-27-9)15(23)26-2)12-6-7-20-22(12)28(24,25)11-5-3-4-10(8-11)16(17,18)19/h3-8H,1-2H3
InChIKey NHDXJEKLQDYPTA-UHFFFAOYSA-N
Mol Weight 415.34 g/mol
Molecular Formula C16H12F3N3O5S
Exact Mass 415.044976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Aw4bIZpOIkj
Name 5-METHYL-4-{1-[(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)SULFONYL]PYRAZOL-5-YL}-3-ISOXAZOLECARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3N3O5S
InChI InChI=1S/C16H12F3N3O5S/c1-9-13(14(21-27-9)15(23)26-2)12-6-7-20-22(12)28(24,25)11-5-3-4-10(8-11)16(17,18)19/h3-8H,1-2H3
InChIKey NHDXJEKLQDYPTA-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 415.35
Solvent CDCl3; Reference=TMS; Temperature 297K