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object
{15}
_id
:
Bjj27WYeFjJ
spectrumID
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Bjj27WYeFjJ
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:238707:1
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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lastUpdated
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1735074081058
isDeprecated
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false

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MAJOR_PRODUCT
SpectraBase Compound ID 5iS8ZKpCgtz
InChI InChI=1S/C38H52N6O7S/c1-22(2)17-29(41-24(4)45)35(48)44-32(21-52-38(5,6)7)36(49)42-30(19-26-20-39-28-16-12-11-15-27(26)28)34(47)40-23(3)33(46)43-31(37(50)51)18-25-13-9-8-10-14-25/h8-16,20,22-23,29-32,39H,17-19,21H2,1-7H3,(H,40,47)(H,41,45)(H,42,49)(H,43,46)(H,44,48)(H,50,51)
InChIKey ZUTWKERJPWGHPW-UHFFFAOYSA-N
Mol Weight 736.9 g/mol
Molecular Formula C38H52N6O7S
Exact Mass 736.361819 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 Bjj27WYeFjJ
Name MAJOR_PRODUCT
Compound Number 1A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52N6O7S
InChI InChI=1S/C38H52N6O7S/c1-22(2)17-29(41-24(4)45)35(48)44-32(21-52-38(5,6)7)36(49)42-30(19-26-20-39-28-16-12-11-15-27(26)28)34(47)40-23(3)33(46)43-31(37(50)51)18-25-13-9-8-10-14-25/h8-16,20,22-23,29-32,39H,17-19,21H2,1-7H3,(H,40,47)(H,41,45)(H,42,49)(H,43,46)(H,44,48)(H,50,51)
InChIKey ZUTWKERJPWGHPW-UHFFFAOYSA-N
Literature Reference Author J.P.SINGH,S.TAMANG,P.R.RAJAMOHANAN,N.C.JIMA,G.CHAKRABORTY,G. C.KUNDU,S.M.GAIKWAD,
Literature Reference Citation J.MED.CHEM.,53,5121(2010)
Literature Reference DOI 10.1021/jm9014179
Molecular Weight 736.927 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47388
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