Debug Info

object
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_id
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Cl7EW5yfP3Y
spectrumID
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Cl7EW5yfP3Y
cost
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specType
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262144
xnmrNucleus
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dbLocation
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WRX:170586:1
hasStructureAssignments
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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[3-(1-HYDROPEROXY-1-METHYLETHYL)-CYCLOHEXYLIDENE]-ACETIC-ACID-ETHYLESTER;MAJOR-ISOMER
SpectraBase Compound ID 7uzOisAIFhF
InChI InChI=1S/C13H22O4/c1-4-16-12(14)9-10-6-5-7-11(8-10)13(2,3)17-15/h9,11,15H,4-8H2,1-3H3/b10-9+
InChIKey WDYSMJUTWKBMNV-MDZDMXLPSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cl7EW5yfP3Y
Name [3-(1-HYDROPEROXY-1-METHYLETHYL)-CYCLOHEXYLIDENE]-ACETIC-ACID-ETHYLESTER;MAJOR-ISOMER
Compound Number 19
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-16-12(14)9-10-6-5-7-11(8-10)13(2,3)17-15/h9,11,15H,4-8H2,1-3H3/b10-9+
InChIKey WDYSMJUTWKBMNV-MDZDMXLPSA-N
Literature Reference Author T.TOKUYASU,S.KUNIKAWA,M.ABE,A.MASUYAMA,M.NOJIMA,H.S.KIM,K.BE GUM,Y.WATAYA
Literature Reference Citation J.ORG.CHEM.,68,7361(2003)
Literature Reference DOI 10.1021/jo030107f
Molecular Weight 242.315 g/mol
Solvent CDCl3
Source File Reference UWMS26722
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