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3-(4-CYANO-trans-,trans-1,3-BUTADIENYL)-4,5-ISOXAZOLEDICARBOXYLICACID, DIMETHYL ESTER

View entire compound with spectra: 2 NMR, and 1 MS (GC)

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 K8rFFL8NziO
Name 3-(4-Cyano-buta-trans-trans-dienyl)-isoxazole-4,5-dicarboxylic acid, dimethyl ester
CAS Registry Number 56086-90-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
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