Debug Info

object
{15}
_id
:
91l119wO2Dc
spectrumID
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91l119wO2Dc
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:229739:1
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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ACREMINE_O
SpectraBase Compound ID 2rryrMkvIYT
InChI InChI=1S/C12H15ClO4/c1-6-7(14)4-12(10(16)9(6)13)5-8(15)11(2,3)17-12/h8,15H,4-5H2,1-3H3/t8-,12-/m1/s1
InChIKey VJXALBGDINDGFL-PRHODGIISA-N
Mol Weight 258.7 g/mol
Molecular Formula C12H15ClO4
Exact Mass 258.065887 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 91l119wO2Dc
Name ACREMINE_O
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15ClO4
InChI InChI=1S/C12H15ClO4/c1-6-7(14)4-12(10(16)9(6)13)5-8(15)11(2,3)17-12/h8,15H,4-5H2,1-3H3/t8-,12-/m1/s1
InChIKey VJXALBGDINDGFL-PRHODGIISA-N
Literature Reference Author X.SUCIATI,J.A.FRASER,L.K.LAMBERT,G.K.PIERENS,P.V.BERNHARDT,M .J.GARSON
Literature Reference Citation J.NAT.PROD.,76,1432(2013)
Literature Reference DOI 10.1021/np4002114
Molecular Weight 258.702 g/mol
Solvent CDCl3
Source File Reference UWMZ43018
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