Debug Info

object
{15}
_id
:
C0zLCUMATWi
spectrumID
:
C0zLCUMATWi
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
:
WMS3X:379473:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
:
Mass Spectrum (GC)
isFullSpectrum
:
false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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7-Allyl-8-hydroxy-6-methyl-3-(p-tolyl)-3,4-dihydro-isochroman-1-one
SpectraBase Compound ID 81E7PBhWbGD
InChI InChI=1S/C20H20O3/c1-4-5-16-13(3)10-15-11-17(14-8-6-12(2)7-9-14)23-20(22)18(15)19(16)21/h4,6-10,17,21H,1,5,11H2,2-3H3
InChIKey DKQNMMBMLRRSIP-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0zLCUMATWi
Name 7-Allyl-8-hydroxy-6-methyl-3-(p-tolyl)-3,4-dihydro-isochroman-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O3
InChI InChI=1S/C20H20O3/c1-4-5-16-13(3)10-15-11-17(14-8-6-12(2)7-9-14)23-20(22)18(15)19(16)21/h4,6-10,17,21H,1,5,11H2,2-3H3
InChIKey DKQNMMBMLRRSIP-UHFFFAOYSA-N
Molecular Weight 308.377 g/mol
SMILES Oc1c2C(OC(Cc2cc(C)c1CC=C)c1ccc(cc1)C)=O
SPLASH splash10-0a6u-0194000000-268b12be98d11854aa81
Source of Spectrum F-66-1881-7w
Wiley ID 1682579
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