Debug Info

object
{15}
_id
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KSWG9RdCQ1m
spectrumID
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KSWG9RdCQ1m
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:211115:1
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
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lastUpdated
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1735074081058
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Benzo[1,2-h:4,5-h']bis(11-hydroxy-11-phenylbenzo[1,2-c]bicyclo[4.4.1]undeca-3,8-dien-11-one) isomer
SpectraBase Compound ID F4lOpxojKma
InChI InChI=1S/C38H36O2/c39-37-32-14-24-8-4-5-9-25(24)15-33(37)19-29-17-31-23-36-21-27-11-7-6-10-26(27)20-35(22-30(31)16-28(29)18-32)38(36,40)34-12-2-1-3-13-34/h1-13,16-17,32-33,35-36,40H,14-15,18-23H2/t32-,33-,35-,36-/m0/s1
InChIKey HDQFTLQXGCBPJL-UHFFFAOYSA-N
Mol Weight 524.7 g/mol
Molecular Formula C38H36O2
Exact Mass 524.27153 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSWG9RdCQ1m
Name Benzo[1,2-h:4,5-h']bis(11-hydroxy-11-phenylbenzo[1,2-c]bicyclo[4.4.1]undeca-3,8-dien-11-one) isomer
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H36O2
InChI InChI=1S/C38H36O2/c39-37-32-14-24-8-4-5-9-25(24)15-33(37)19-29-17-31-23-36-21-27-11-7-6-10-26(27)20-35(22-30(31)16-28(29)18-32)38(36,40)34-12-2-1-3-13-34/h1-13,16-17,32-33,35-36,40H,14-15,18-23H2/t32-,33-,35-,36-/m0/s1
InChIKey HDQFTLQXGCBPJL-UHFFFAOYSA-N
Molecular Weight 524.704 g/mol
SMILES OC1([C@@]2(Cc3cc4C[C@]5(C(=O)[C@](Cc4cc3C[C@@]1(Cc1ccccc1C2)[H])(Cc1ccccc1C5)[H])[H])[H])c1ccccc1
SPLASH splash10-0a6r-0030090000-fa1eb1fdff602a99ae4d
Source of Spectrum F-54-5185-19
Wiley ID 806646
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