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3-(4-CYANO-trans-,trans-1,3-BUTADIENYL)-4,5-ISOXAZOLEDICARBOXYLICACID, DIMETHYL ESTER
SpectraBase Compound ID 4mFPgvRfgok
InChI InChI=1S/C12H10N2O5/c1-17-11(15)9-8(6-4-3-5-7-13)14-19-10(9)12(16)18-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKey UZCZXUVSVWTOSH-GGWOSOGESA-N
Mol Weight 262.22 g/mol
Molecular Formula C12H10N2O5
Exact Mass 262.058971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqQ3slpS4YS
Name 3-(4-CYANO-trans-,trans-1,3-BUTADIENYL)-4,5-ISOXAZOLEDICARBOXYLICACID, DIMETHYL ESTER
Source of Sample I. Yavari, S. Esfandiari, A. Mostashari J. Org. Chem. 40, 2880(1975)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O5
InChI InChI=1S/C12H10N2O5/c1-17-11(15)9-8(6-4-3-5-7-13)14-19-10(9)12(16)18-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKey UZCZXUVSVWTOSH-GGWOSOGESA-N
Molecular Weight 262.22
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Special
Synonyms 4,5-ISOXAZOLEDICARBOXYLIC ACID, 3-/4-CYANO-trans-,trans-1,3-BUTADIEN- YL/-, DIMETHYL ESTER