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4-(3-CYANOPROPYL)-CYCLOHEXA-1,3-DIENE-1,4-DICARBOXYLIC-ACID
SpectraBase Compound ID Fx2zqqKNcHU
InChI InChI=1S/C12H13NO4/c13-8-2-1-5-12(11(16)17)6-3-9(4-7-12)10(14)15/h3-4,6H,1-2,5,7H2,(H,14,15)(H,16,17)
InChIKey HUVGDYQDFVTHGV-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D15dQUObZWq
Name 4-(3-CYANOPROPYL)-CYCLOHEXA-1,3-DIENE-1,4-DICARBOXYLIC-ACID
Compound Number 13G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c13-8-2-1-5-12(11(16)17)6-3-9(4-7-12)10(14)15/h3-4,6H,1-2,5,7H2,(H,14,15)(H,16,17)
InChIKey HUVGDYQDFVTHGV-UHFFFAOYSA-N
Literature Reference Author A.BRAMBORG,T.LINKER
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5552(2012)
Literature Reference DOI 10.1002/ejoc.201200823
Molecular Weight 235.240 g/mol
Solvent CD3OD
Source File Reference UWLU83553