Debug Info

object
{15}
_id
:
KwpL9483vHp
spectrumID
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KwpL9483vHp
cost
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1
specType
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131072
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dbLocation
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WMS3X:528016:1
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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spectralOutlier
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compound
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1,3-bis(1-Adamantyl)-2-phenyl-propane-1,3-dione
SpectraBase Compound ID FfnFl0cyJS7
InChI InChI=1S/C29H36O2/c30-26(28-12-18-6-19(13-28)8-20(7-18)14-28)25(24-4-2-1-3-5-24)27(31)29-15-21-9-22(16-29)11-23(10-21)17-29/h1-5,18-23,25H,6-17H2/t18-,19+,20-,21-,22+,23-,28-,29-
InChIKey YURKFYDCSGXGNL-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C29H36O2
Exact Mass 416.27153 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwpL9483vHp
Name 1,3-bis(1-adamantyl)-2-phenyl-propane-1,3-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O2
InChI InChI=1S/C29H36O2/c30-26(28-12-18-6-19(13-28)8-20(7-18)14-28)25(24-4-2-1-3-5-24)27(31)29-15-21-9-22(16-29)11-23(10-21)17-29/h1-5,18-23,25H,6-17H2/t18-,19+,20-,21-,22+,23-,28-,29-
InChIKey YURKFYDCSGXGNL-UHFFFAOYSA-N
Molecular Weight 416.605 g/mol
SMILES C12(C(C(C(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])=O)c3ccccc3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-000i-4900000000-c3996cbeb1dcb1d1bb27
Source of Spectrum Y2-71-720-12
Wiley ID 1587601
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