Debug Info

object
{15}
_id
:
Kyg7QrSdKMc
spectrumID
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Kyg7QrSdKMc
cost
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1
specType
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262144
xnmrNucleus
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0
dbLocation
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WRX:267664:1
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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false
spectralOutlier
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false
compound
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1735074081058
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false

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KULOLIDE;CONFORMER-1
SpectraBase Compound ID 40ICJjXSmGh
InChI InChI=1S/C43H63N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h1,14,16-17,19-20,25-28,30-35H,13,15,18,21-24H2,2-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32+,33-,34-,35+/m0/s1
InChIKey UDYHMKFAZLLWNB-WMFYSPNBSA-N
Mol Weight 794.0 g/mol
Molecular Formula C43H63N5O9
Exact Mass 793.462579 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 Kyg7QrSdKMc
Name KULOLIDE;CONFORMER-2
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H63N5O9
InChI InChI=1S/C43H63N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h1,14,16-17,19-20,25-28,30-35H,13,15,18,21-24H2,2-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32+,33-,34-,35+/m0/s1
InChIKey UDYHMKFAZLLWNB-WMFYSPNBSA-N
Literature Reference Author M.T.REESE,N.K.GULAVITA,Y.NAKAO,M.T.HAMANN,W.Y.YOSHIDAD,S.J.C OVAL,P.J.SCHEUER
Literature Reference Citation J.AM.CHEM.SOC.,118,11081(1996)
Literature Reference DOI 10.1021/ja9620301
Molecular Weight 794.001 g/mol
Sample ID 53602
Solvent CD2Cl2
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