Debug Info

object
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_id
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FXOLUN7FTBS
spectrumID
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FXOLUN7FTBS
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:481721:1
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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spectralOutlier
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compound
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1735074081058
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4a-(tert-Butoxycarbonyl)-5-methoxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b]pyran-4,7-dione
SpectraBase Compound ID 54cEHpIrrCq
InChI InChI=1S/C21H24O6/c1-20(2,3)27-19(24)21-16(23)12-15(13-8-6-5-7-9-13)26-18(21)11-14(22)10-17(21)25-4/h5-9,12,17-18H,10-11H2,1-4H3
InChIKey VASTYFSYXCLYQQ-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXOLUN7FTBS
Name 4a-(tert-Butoxycarbonyl)-5-methoxy-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b]pyran-4,7-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-20(2,3)27-19(24)21-16(23)12-15(13-8-6-5-7-9-13)26-18(21)11-14(22)10-17(21)25-4/h5-9,12,17-18H,10-11H2,1-4H3
InChIKey VASTYFSYXCLYQQ-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES C12(C(OC(C)(C)C)=O)C(C=C(OC2CC(CC1OC)=O)c1ccccc1)=O
SPLASH splash10-1001-9831000000-6e577ec83399aebd34f6
Source of Spectrum KC-0-167-16
Synonyms tert-Butyl 5-methoxy-4,7-dioxo-2-phenyl-6,7,8,8a-tetrahydro-4H-chromene-4a(5H)-carboxylate
Wiley ID 787141
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