Debug Info

object
{15}
_id
:
2nUB4iuE9b5
spectrumID
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2nUB4iuE9b5
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:198068:1
hasStructureAssignments
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properties
{11}
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
isDeprecated
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false

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(1R,2S)-exo-3,6-Epoxy-2-(2-isopropoxycarbonyl)cyclohex-4-ene-1-carboxylic acid
SpectraBase Compound ID I9AdhqMXF4O
InChI InChI=1S/C11H14O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h3-9H,1-2H3,(H,12,13)/t6?,7?,8-,9+/m1/s1
InChIKey YKOGKWGGMISKRS-YNTFGVKOSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nUB4iuE9b5
Name (1R,2S)-exo-3,6-Epoxy-2-(2-isopropoxycarbonyl)cyclohex-4-ene-1-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h3-9H,1-2H3,(H,12,13)/t6?,7?,8-,9+/m1/s1
InChIKey YKOGKWGGMISKRS-YNTFGVKOSA-N
Molecular Weight 226.228 g/mol
SMILES OC([C@]1([C@@](C(OC(C)C)=O)(C2OC1C=C2)[H])[H])=O
SPLASH splash10-014j-6900000000-87fe7e30b07d546b666b
Source of Spectrum J-63-1195-18
Synonyms (2S,3R)-3-(isopropoxycarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Wiley ID 1227074
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