Debug Info

object
{15}
_id
:
Hh8O46b4qj5
spectrumID
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Hh8O46b4qj5
cost
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1
specType
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262144
xnmrNucleus
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WRX:84531:1
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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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FREE-HYDRATE
SpectraBase Compound ID L6rBjklfBKn
InChI InChI=1S/C10H14N2O7/c13-3-6-5(14)2-8(19-6)12-4(9(16)17)1-7(15)11-10(12)18/h1,5-6,8-9,13-14,16-17H,2-3H2,(H,11,15,18)
InChIKey YUPYBHKKLUDTRC-UHFFFAOYSA-N
Mol Weight 274.23 g/mol
Molecular Formula C10H14N2O7
Exact Mass 274.080101 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 Hh8O46b4qj5
Name FREE-HYDRATE
Compound Number D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14N2O7
InChI InChI=1S/C10H14N2O7/c13-3-6-5(14)2-8(19-6)12-4(9(16)17)1-7(15)11-10(12)18/h1,5-6,8-9,13-14,16-17H,2-3H2,(H,11,15,18)
InChIKey YUPYBHKKLUDTRC-UHFFFAOYSA-N
Literature Reference Author M.P.GROZIAK,A.KOOHANG,W.C.STEVENS,P.D.ROBINSON
Literature Reference Citation J.ORG.CHEM.,58,4054(1993)
Literature Reference DOI 10.1021/jo00067a044
Molecular Weight 274.230 g/mol
Solvent D2O
Source File Reference UWGE3480
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