Debug Info

object
{15}
_id
:
1AVJYRfN9E
spectrumID
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1AVJYRfN9E
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:153920:1
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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lastUpdated
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1735074081058
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5,6,6-Trifluoro-2,9-dioxatricyclo[5.3.0.01,5] decan-8-one
SpectraBase Compound ID HWOxmZwekdt
InChI InChI=1S/C8H7F3O3/c9-7-1-2-14-6(7)3-13-5(12)4(6)8(7,10)11/h4H,1-3H2/t4-,6-,7+/m1/s1
InChIKey HLLSFXOWPSRVLL-QXRNQMCJSA-N
Mol Weight 208.14 g/mol
Molecular Formula C8H7F3O3
Exact Mass 208.034729 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AVJYRfN9E
Name 5,6,6-Trifluoro-2,9-dioxatricyclo[5.3.0.01,5] decan-8-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7F3O3
InChI InChI=1S/C8H7F3O3/c9-7-1-2-14-6(7)3-13-5(12)4(6)8(7,10)11/h4H,1-3H2/t4-,6-,7+/m1/s1
InChIKey HLLSFXOWPSRVLL-QXRNQMCJSA-N
Literature Reference DOI 10.1002/anie.201204080
Molecular Weight 208.136 g/mol
SMILES C1[C@@]23[C@@](C(=O)O1)(C(F)(F)[C@@]2(CCO3)F)[H]
SPLASH splash10-05mo-9210000000-4f970d87ab03e38ddc42
Source of Spectrum ACI-51-SMS6-3
Synonyms (3aS,4aS,7aS)-3a,4,4-trifluorotetrahydro-7H-cyclobuta[1,2-b:1,4-c']difuran-5(2H)-one
Wiley ID 1780519
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