Debug Info

object
{15}
_id
:
H3io5836BOH
spectrumID
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H3io5836BOH
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:38237:1
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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compound
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1735074081058
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false

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(3S)-3-HYDROXY-4-MESITYLSULFONYLOXYBUTYL-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID IczJE6LFvyN
InChI InChI=1S/C27H38O14S/c1-14-10-15(2)26(16(3)11-14)42(33,34)37-12-21(32)8-9-35-27-25(40-20(7)31)24(39-19(6)30)23(38-18(5)29)22(41-27)13-36-17(4)28/h10-11,21-25,27,32H,8-9,12-13H2,1-7H3/t21?,22-,23-,24+,25-,27-/m0/s1
InChIKey CJLHUHZHIABWBM-MKYWJSEQSA-N
Mol Weight 618.6 g/mol
Molecular Formula C27H38O14S
Exact Mass 618.198227 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 H3io5836BOH
Name (3S)-3-HYDROXY-4-MESITYLSULFONYLOXYBUTYL-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O14S
InChI InChI=1S/C27H38O14S/c1-14-10-15(2)26(16(3)11-14)42(33,34)37-12-21(32)8-9-35-27-25(40-20(7)31)24(39-19(6)30)23(38-18(5)29)22(41-27)13-36-17(4)28/h10-11,21-25,27,32H,8-9,12-13H2,1-7H3/t21?,22-,23-,24+,25-,27-/m0/s1
InChIKey CJLHUHZHIABWBM-MKYWJSEQSA-N
Literature Reference Author E.B.RODRIGUEZ,G.D.SCALLY,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,43,1391(1990)
Literature Reference DOI 10.1071/CH9901391
Molecular Weight 618.650 g/mol
Solvent CDCl3
Source File Reference UWED11556
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