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(7-(C-13))-ETHYL-2-METHYL-6-OXO-HEXA-2,4-DIENOATE
SpectraBase Compound ID 760pNR9Sxyo
InChI InChI=1S/C9H12O3/c1-3-12-9(11)8(2)6-4-5-7-10/h4-7H,3H2,1-2H3/b5-4+,8-6+/i2+1
InChIKey YPLUXBXMFZMAKX-RTJFUMRXSA-N
Mol Weight 169.18 g/mol
Molecular Formula C813CH12O3
Exact Mass 169.081999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSq4BdntrNs
Name (7-(C-13))-ETHYL-2-METHYL-6-OXO-HEXA-2,4-DIENOATE
Compound Number 12E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C813CH12O3
InChI InChI=1S/C9H12O3/c1-3-12-9(11)8(2)6-4-5-7-10/h4-7H,3H2,1-2H3/b5-4+,8-6+/i2+1
InChIKey YPLUXBXMFZMAKX-RTJFUMRXSA-N
Literature Reference Author F.J.H.M.JANSEN,M.KWESTRO,D.SCHMITT,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,113,552(1994)
Literature Reference DOI 10.1002/recl.19941131205
Molecular Weight 169.185 g/mol
Solvent CDCl3
Source File Reference UWCH129