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α-Cyano-5-(hydroxymethyl)-2-furanacrylic acid, methyl ester, acetate (ester)
SpectraBase Compound ID 6hTQ16xbyYD
InChI InChI=1S/C12H11NO5/c1-8(14)17-7-11-4-3-10(18-11)5-9(6-13)12(15)16-2/h3-5H,7H2,1-2H3
InChIKey XVAXPQPUNHLBJW-UHFFFAOYSA-N
Mol Weight 249.22 g/mol
Molecular Formula C12H11NO5
Exact Mass 249.063722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXhL5YX9MHQ
Name α-Cyano-5-(hydroxymethyl)-2-furanacrylic acid, methyl ester, acetate (ester)
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO5
InChI InChI=1S/C12H11NO5/c1-8(14)17-7-11-4-3-10(18-11)5-9(6-13)12(15)16-2/h3-5H,7H2,1-2H3
InChIKey XVAXPQPUNHLBJW-UHFFFAOYSA-N
Melting Point 87-89C
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300