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

*Links on SpectraBase are not permalinks.
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbothioic acid, S-[(p-chloroanilino)methyl]ester
SpectraBase Compound ID ADZSjourZyR
InChI InChI=1S/C18H13Cl3N2O2S/c1-10-15(17(23-25-10)16-13(20)3-2-4-14(16)21)18(24)26-9-22-12-7-5-11(19)6-8-12/h2-8,22H,9H2,1H3
InChIKey KQIOOFNSDXWJGG-UHFFFAOYSA-N
Mol Weight 427.73 g/mol
Molecular Formula C18H13Cl3N2O2S
Exact Mass 425.976332 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID C7RXnY01azy
Name 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbothioic acid, S-[(p-chloroanilino)methyl]ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13Cl3N2O2S
InChI InChI=1S/C18H13Cl3N2O2S/c1-10-15(17(23-25-10)16-13(20)3-2-4-14(16)21)18(24)26-9-22-12-7-5-11(19)6-8-12/h2-8,22H,9H2,1H3
InChIKey KQIOOFNSDXWJGG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 30941M
Solvent CDCl3