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2-Methoxy-4-tert.-butyl-2(E),4(Z)-hexadienedioic-acid-1-methylester
SpectraBase Compound ID w4mbqhZeVg
InChI InChI=1S/C12H18O5/c1-12(2,3)8(7-10(13)14)6-9(16-4)11(15)17-5/h6-7H,1-5H3,(H,13,14)/b8-7-,9-6-
InChIKey NLXKECUAXALCMB-QOCNPQIPSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8orFUfTnkR
Name 2-METHOXY-4-TERT.-BUTYL-2(E),4(Z)-HEXADIENEDIOIC-ACID-1-METHYLESTER
CAS Registry Number 72526-04-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-12(2,3)8(7-10(13)14)6-9(16-4)11(15)17-5/h6-7H,1-5H3,(H,13,14)/b8-7-,9-6-
InChIKey NLXKECUAXALCMB-QOCNPQIPSA-N
Literature Reference Author T.R.DEMMIN,M.M.ROGIC
Literature Reference Citation J.ORG.CHEM.,45,1153(1980)
Literature Reference DOI 10.1021/jo01294a047
Molecular Weight 242.272 g/mol
Solvent CDCl3
Source File Reference UNIW17701