Debug Info

object
{15}
_id
:
3Dy17ETfUpR
spectrumID
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3Dy17ETfUpR
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:576287:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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compound
{10}
lastUpdated
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1735074081058
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false

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1,1''-diethyl (1R,1''R,4R,4''R)-4,4'',5,5,5'',5''-hexamethyl-6,6''-dioxodispiro[3,7-dioxabicyclo[2.2.1]heptane-2,1'-cyclohexane-4',2''-[3,7]dioxabicyclo[2.2.1]heptane]-1,1''-dicarboxylate
SpectraBase Compound ID 4WA2N8V2w92
InChI InChI=1S/C26H36O10/c1-9-31-17(29)25-15(27)19(3,4)21(7,35-25)33-23(25)11-13-24(14-12-23)26(18(30)32-10-2)16(28)20(5,6)22(8,34-24)36-26/h9-14H2,1-8H3/t21-,22-,23?,24?,25-,26-/m1/s1
InChIKey ZMSQGRNRGMTBSV-ABTGYGSOSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H36O10
Exact Mass 508.230847 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dy17ETfUpR
Name 1,1''-diethyl (1R,1''R,4R,4''R)-4,4'',5,5,5'',5''-hexamethyl-6,6''-dioxodispiro[3,7-dioxabicyclo[2.2.1]heptane-2,1'-cyclohexane-4',2''-[3,7]dioxabicyclo[2.2.1]heptane]-1,1''-dicarboxylate
Appearance Colorless solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O10
InChI InChI=1S/C26H36O10/c1-9-31-17(29)25-15(27)19(3,4)21(7,35-25)33-23(25)11-13-24(14-12-23)26(18(30)32-10-2)16(28)20(5,6)22(8,34-24)36-26/h9-14H2,1-8H3/t21-,22-,23?,24?,25-,26-/m1/s1
InChIKey ZMSQGRNRGMTBSV-ABTGYGSOSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.b13
Molecular Weight 508.564 g/mol
SMILES [C@]12(OC3([C@](C(C2(C)C)=O)(O1)C(=O)OCC)CCC1(CC3)[C@@]2(C(C([C@](O1)(O2)C)(C)C)=O)C(=O)OCC)C
SPLASH splash10-0fdk-9630100000-03703ed78671576c66eb
Source of Spectrum ARK-2005-157-17a
Wiley ID 1873060
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