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

*Links on SpectraBase are not permalinks.

3-phenyl-4,5-isoxazoledicarboxylic acid, dimethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

3-phenyl-4,5-isoxazoledicarboxylic acid, dimethyl ester
SpectraBase Compound ID HmAqmGQ8R90
InChI InChI=1S/C13H11NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3
InChIKey BMFIBMLGDMNPHC-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C13H11NO5
Exact Mass 261.063722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 JgebfKJCaTK
Name 4,5-Isoxazoledicarboxylic acid, 3-phenyl-, dimethyl ester
CAS Registry Number 7710-44-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11NO5
InChI InChI=1S/C13H11NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3
InChIKey BMFIBMLGDMNPHC-UHFFFAOYSA-N
Instrument Name Special
Literature Reference I. Yavari, S. Esfandiari, A. Mostashari, J. Org. Chem. 40, 2880 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3