Debug Info

object
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_id
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3GUqnm5ycor
spectrumID
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3GUqnm5ycor
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:322050:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1-METHYL-7,7-DIPHENYL-2,6-DIOXABICYCLO-[3.4.0]-HEPTAN-3-ONE
SpectraBase Compound ID 3aw7c6YQzBg
InChI InChI=1S/C18H16O3/c1-17-15(12-16(19)21-17)20-18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKey FILJHWYKRMBMFZ-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GUqnm5ycor
Name 5-Methyl-6,6-diphenyl-4,7-dioxabicyclo[3.2.0]heptan-3-one
CAS Registry Number 85623-58-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-17-15(12-16(19)21-17)20-18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKey FILJHWYKRMBMFZ-UHFFFAOYSA-N
Molecular Weight 280.323 g/mol
SMILES CC12C(OC2CC(O1)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0a59-6900000000-2bf131b55c0f46d96f7e
Source of Spectrum Y-20-207-3
Wiley ID 1284246
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