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(E)-2,4,4-TRIMETHYL-3-NITROPENT-2-ENE-1,5-DIOIC-ACID
SpectraBase Compound ID 5sPDXmpMXlj
InChI InChI=1S/C8H11NO6/c1-4(6(10)11)5(9(14)15)8(2,3)7(12)13/h1-3H3,(H,10,11)(H,12,13)/b5-4-
InChIKey ORTDMOZFTSTXIC-PLNGDYQASA-N
Mol Weight 217.18 g/mol
Molecular Formula C8H11NO6
Exact Mass 217.058637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8OgQeFNl5z
Name (E)-2,4,4-TRIMETHYL-3-NITROPENT-2-ENE-1,5-DIOIC-ACID
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11NO6
InChI InChI=1S/C8H11NO6/c1-4(6(10)11)5(9(14)15)8(2,3)7(12)13/h1-3H3,(H,10,11)(H,12,13)/b5-4-
InChIKey ORTDMOZFTSTXIC-PLNGDYQASA-N
Literature Reference Author M.P.HARTSHORN,J.M.READMAN,W.T.ROBINSON,C.W.SIES,G.J.WRIGHT
Literature Reference Citation AUSTR.J.CHEM.,41,373(1988)
Literature Reference DOI 10.1071/ch9880373
Molecular Weight 217.178 g/mol
Solvent ACETONE-D6
Source File Reference UWRU6408