Debug Info

object
{15}
_id
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2e2gmJX8f9B
spectrumID
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2e2gmJX8f9B
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:82309:1
hasStructureAssignments
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properties
{12}
analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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false
spectralOutlier
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compound
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1735074081058
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12-HYDROXYCHILOSCYPHA-2,7-DIONE
SpectraBase Compound ID 9SDhZpLcrJh
InChI InChI=1S/C15H20O3/c1-9(8-16)14(18)13-5-4-11-7-12(17)6-10(2)15(11,13)3/h7,10,13,16H,1,4-6,8H2,2-3H3/t10-,13+,15+/m0/s1
InChIKey HSEYGUUBMYCCIJ-PSOPSSQASA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 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 2e2gmJX8f9B
Name 12-HYDROXYCHILOSCYPHA-2,7-DIONE
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(8-16)14(18)13-5-4-11-7-12(17)6-10(2)15(11,13)3/h7,10,13,16H,1,4-6,8H2,2-3H3/t10-,13+,15+/m0/s1
InChIKey HSEYGUUBMYCCIJ-PSOPSSQASA-N
Literature Reference Author C.WU,A.A.L.GUNATILAKA,F.L.MCCABE,R.K.JOHNSON,R.W.SPJUT,D.G.I .KINGSTON
Literature Reference Citation J.NAT.PROD.,60,1281(1997)
Literature Reference DOI 10.1021/np970251u
Molecular Weight 248.322 g/mol
Solvent CDCl3
Source File Reference WANG2350
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