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object
{15}
_id
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HMn3YwEIQNE
spectrumID
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HMn3YwEIQNE
cost
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1
specType
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262144
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dbLocation
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WRX:134916:1
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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compound
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1735074081058
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N,N',N'',N'''-TETRAKIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-SPIRO-[3.3]-HEPTANE-2,2,6,6-TETRACARBOXAMIDE
SpectraBase Compound ID HVm3es7WIoI
InChI InChI=1S/C27H48N4O16/c32-5-22(6-33,7-34)28-17(44)26(18(45)29-23(8-35,9-36)10-37)1-21(2-26)3-27(4-21,19(46)30-24(11-38,12-39)13-40)20(47)31-25(14-41,15-42)16-43/h32-43H,1-16H2,(H,28,44)(H,29,45)(H,30,46)(H,31,47)
InChIKey LZLVGDQASUKXLH-UHFFFAOYSA-N
Mol Weight 684.7 g/mol
Molecular Formula C27H48N4O16
Exact Mass 684.306531 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 HMn3YwEIQNE
Name N,N',N'',N'''-TETRAKIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-SPIRO-[3.3]-HEPTANE-2,2,6,6-TETRACARBOXAMIDE
Compound Number 16
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48N4O16
InChI InChI=1S/C27H48N4O16/c32-5-22(6-33,7-34)28-17(44)26(18(45)29-23(8-35,9-36)10-37)1-21(2-26)3-27(4-21,19(46)30-24(11-38,12-39)13-40)20(47)31-25(14-41,15-42)16-43/h32-43H,1-16H2,(H,28,44)(H,29,45)(H,30,46)(H,31,47)
InChIKey LZLVGDQASUKXLH-UHFFFAOYSA-N
Literature Reference Author G.R.NEWKOME,X.LIN,C.YAXIONG,G.H.ESCAMILLA
Literature Reference Citation J.ORG.CHEM.,58,3123(1993)
Literature Reference DOI 10.1021/jo00063a036
Molecular Weight 684.695 g/mol
Solvent DMSO-D6
Source File Reference UWRK4192
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