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[8-13C]-CYCLOHEPTA-1,4,6-TRIENECARBOXYLIC-ACID
SpectraBase Compound ID BK1yHZgWAcP
InChI InChI=1S/C8H8O2/c9-8(10)7-5-3-1-2-4-6-7/h1-3,5-6H,4H2,(H,9,10)
InChIKey VLOGOOYVDOVTGD-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqVzzi1a3N6
Name [3-2H,8-13C]-CYCLOHEPTA-1,4,6-TRIENECARBOXYLIC-ACID
Compound Number [3-2H,8-13C]15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c9-8(10)7-5-3-1-2-4-6-7/h1-3,5-6H,4H2,(H,9,10)
InChIKey VLOGOOYVDOVTGD-UHFFFAOYSA-N
Literature Reference Author B.S.MOORE,K.WALKER,I.TORNUS,S.HANDA,K.PORALLA,H.G.FLOSS
Literature Reference Citation J.ORG.CHEM.,62,2173(1997)
Literature Reference DOI 10.1021/jo962402o
Molecular Weight 136.150 g/mol
Solvent CDCl3
Source File Reference UWKP2132