Debug Info

object
{15}
_id
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E5KoSq8iMOV
spectrumID
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E5KoSq8iMOV
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:261013:1
hasStructureAssignments
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properties
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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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1,4-DIMETHYL-2,3,3A,6,7,8-HEXAHYDRO-3A,6-EPOXYAZULEN-8-ONE
SpectraBase Compound ID BAJeXkp7T6q
InChI InChI=1S/C12H14O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h5,9H,3-4,6H2,1-2H3/t9-,12+/m0/s1
InChIKey RDNXFMZKHNNVLV-JOYOIKCWSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 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 E5KoSq8iMOV
Name 1,4-DIMETHYL-2,3,3A,6,7,8-HEXAHYDRO-3A,6-EPOXYAZULEN-8-ONE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-7-3-4-12-8(2)5-9(14-12)6-10(13)11(7)12/h5,9H,3-4,6H2,1-2H3/t9-,12+/m0/s1
InChIKey RDNXFMZKHNNVLV-JOYOIKCWSA-N
Literature Reference Author B.FOEHLISCH,R.FLOGAUS,G.H.HENLE,S.SENDELBACH,S.HENKEL
Literature Reference Citation EUR.J.ORG.CHEM.,2160(2006)
Literature Reference DOI 10.1002/ejoc.200500777
Molecular Weight 190.242 g/mol
Sample ID 46575
Solvent CDCl3
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