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alpha-cyano-5-(hydroxymethyl)-2-furanacrylic acid, tert-butyl ester, acetate (ester)
SpectraBase Compound ID 4yvBeUKEdvm
InChI InChI=1S/C15H17NO5/c1-10(17)19-9-13-6-5-12(20-13)7-11(8-16)14(18)21-15(2,3)4/h5-7H,9H2,1-4H3
InChIKey KQRQWFUQTPDGBE-UHFFFAOYSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vYrifhAJcu
Name alpha-CYANO-5-(HYDROXYMETHYL)-2-FURANACRYLIC ACID, tert-BUTYL 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 C15H17NO5
InChI InChI=1S/C15H17NO5/c1-10(17)19-9-13-6-5-12(20-13)7-11(8-16)14(18)21-15(2,3)4/h5-7H,9H2,1-4H3
InChIKey KQRQWFUQTPDGBE-UHFFFAOYSA-N
Melting Point 69-72C
Molecular Weight 291.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-FURANACRYLIC ACID, A-CYANO- 5-/HYDROXYMETHYL/-, tert-BUTYL ESTER, ACETATE (ESTER)