Debug Info

object
{15}
_id
:
7qKKw83VVcP
spectrumID
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7qKKw83VVcP
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:278796:1
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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spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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JSXHWJBBIYZANW-GWNIIIPKSA-N
SpectraBase Compound ID CtMbCjsNJFh
InChI InChI=1S/C25H33ClN2O6/c1-5-15-13-28-9-8-24-21-19(31-3)7-6-18(26)22(21)27-25(24,34-11-10-33-24)20(28)12-16(15)17(14-30-2)23(29)32-4/h6-7,14-16,20,27H,5,8-13H2,1-4H3/b17-14+/t15-,16+,20+,24+,25+/m1/s1
InChIKey JSXHWJBBIYZANW-GWNIIIPKSA-N
Mol Weight 493.0 g/mol
Molecular Formula C25H33ClN2O6
Exact Mass 492.202714 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 7qKKw83VVcP
Name JSXHWJBBIYZANW-GWNIIIPKSA-N
Compound Number 12B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33ClN2O6
InChI InChI=1S/C25H33ClN2O6/c1-5-15-13-28-9-8-24-21-19(31-3)7-6-18(26)22(21)27-25(24,34-11-10-33-24)20(28)12-16(15)17(14-30-2)23(29)32-4/h6-7,14-16,20,27H,5,8-13H2,1-4H3/b17-14+/t15-,16+,20+,24+,25+/m1/s1
InChIKey JSXHWJBBIYZANW-GWNIIIPKSA-N
Literature Reference Author H.TAKAYAMA,K.MISAWA,N.OKADA,H.ISHIKAWA,M.KITAJIMA,Y.HATORI,T .MURAYAMA,S.WONGSERI
Literature Reference Citation ORG.LETTERS,8,5705(2006)
Literature Reference DOI 10.1021/ol062173k
Molecular Weight 493.000 g/mol
Sample ID 60312
Solvent CDCl3
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