Debug Info

object
{15}
_id
:
5GHTB174xq
spectrumID
:
5GHTB174xq
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:614325:1
hasStructureAssignments
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false
properties
{18}
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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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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(5aS,9aS)-2,3,4,5a,6,8,9,9a-Octahydrodibenzo[b,d]furan-1,7-dione
SpectraBase Compound ID FKVKhghKHqp
InChI InChI=1S/C12H14O3/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h8,11H,1-6H2/t8-,11+/m1/s1
InChIKey GDPSGQWDXMDYRP-KCJUWKMLSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GHTB174xq
Name (5aS,9aS)-2,3,4,5a,6,8,9,9a-Octahydrodibenzo[b,d]furan-1,7-dione
Appearance Colorless liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
GC Column HP-5MS (15 m x 0.25 mm)
InChI InChI=1S/C12H14O3/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h8,11H,1-6H2/t8-,11+/m1/s1
InChIKey GDPSGQWDXMDYRP-KCJUWKMLSA-N
Instrument Name Hewlett Packard Model 6890 GC-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201505027
Molecular Weight 206.241 g/mol
Quality 322
SMILES C1C(C[C@]2([C@@](C1)(C1=C(O2)CCCC1=O)[H])[H])=O
SPLASH splash10-0a4i-3930000000-4d0710cecc9a1aeb4296
Source of Spectrum QE-22-SM4-3a (DOI: 10.1002/chem.201505027)
Thin-Layer Chromatography 0.25 (hexane/EtOAc, 1:2)
Wiley ID 1903645
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