Debug Info

object
{15}
_id
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6tc3C9jx54T
spectrumID
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6tc3C9jx54T
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:39175:1
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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(3A-C-13)-4,5,6,7-TETRAHYDRO-4-OXOBENZOFURAN-3-CARBOXYLIC-ACID
SpectraBase Compound ID t7zwUveRIV
InChI InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)/i8+1
InChIKey FABBWECRHZNMDQ-VJJZLTLGSA-N
Mol Weight 181.15 g/mol
Molecular Formula C813CH8O4
Exact Mass 181.045614 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 6tc3C9jx54T
Name (3A-C-13)-4,5,6,7-TETRAHYDRO-4-OXOBENZOFURAN-3-CARBOXYLIC-ACID
Compound Number 7A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)/i8+1
InChIKey FABBWECRHZNMDQ-VJJZLTLGSA-N
Literature Reference Author E.M.M.VANDENBERG,F.J.H.M.DEGOEDE,A.U.BALDEW,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,109,287(1990)
Literature Reference DOI 10.1002/recl.19901090405
Molecular Weight 180.160 g/mol
Solvent CDCl3
Source File Reference UWRK716
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