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METHYL-2-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]-2-CYANOACETATE
SpectraBase Compound ID F1J8DAHuW53
InChI InChI=1S/C12H8N4O5/c1-20-12(17)9(6-13)11-14-10(15-21-11)7-3-2-4-8(5-7)16(18)19/h2-5,17H,1H3/b12-9+
InChIKey WWWSVWNCFQIYFX-FMIVXFBMSA-N
Mol Weight 288.22 g/mol
Molecular Formula C12H8N4O5
Exact Mass 288.049469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37ZsY8D2jMs
Name METHYL-2-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]-2-CYANOACETATE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N4O5
InChI InChI=1S/C12H8N4O5/c1-20-12(17)9(6-13)11-14-10(15-21-11)7-3-2-4-8(5-7)16(18)19/h2-5,17H,1H3/b12-9+
InChIKey WWWSVWNCFQIYFX-FMIVXFBMSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation HELV.CHIM.ACTA,74,501(1991)
Literature Reference DOI 10.1002/hlca.19910740306
Molecular Weight 288.219 g/mol
Solvent DMSO-D6
Source File Reference UWVP5950