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2-Cyanolevulinic acid, ethyl ester
SpectraBase Compound ID 1bNLTGKzm5a
InChI InChI=1S/C8H11NO3/c1-3-12-8(11)7(5-9)4-6(2)10/h7H,3-4H2,1-2H3
InChIKey WCOOHFKTZREKRW-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUjThy98shr
Name 2-Cyanolevulinic acid, ethyl ester
CAS Registry Number 62981-80-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c1-3-12-8(11)7(5-9)4-6(2)10/h7H,3-4H2,1-2H3
InChIKey WCOOHFKTZREKRW-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference F. Seela, U. Luepke, Chem. Ber. 110, 1462 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6