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3-OXO-BUTYRIC-ACID-2'-CYANO-ALLYLESTER
SpectraBase Compound ID F8Rzw0W9ckr
InChI InChI=1S/C8H9NO3/c1-6(4-9)5-12-8(11)3-7(2)10/h1,3,5H2,2H3
InChIKey DMCVGGJGFFISPH-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgYZ9LFZBDq
Name 3-OXO-BUTYRIC-ACID-2'-CYANO-ALLYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-6(4-9)5-12-8(11)3-7(2)10/h1,3,5H2,2H3
InChIKey DMCVGGJGFFISPH-UHFFFAOYSA-N
Literature Reference Author V.BIZET,V.LEFEBVRE,J.BAUDOUX,M.C.LASNE,A.BOULANGE,S.LELEU,X. FRANCK,J.ROUDEN
Literature Reference Citation EUR.J.ORG.CHEM.,2011,4170(2011)
Literature Reference DOI 10.1002/ejoc.201100120
Molecular Weight 167.164 g/mol
Solvent CDCl3
Source File Reference UWBT20705