Debug Info

object
{15}
_id
:
IuWOp5q2yrO
spectrumID
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IuWOp5q2yrO
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:115369:1
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)
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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trans-3,4-Dihydroxy-3,4-dihydro-11-hydroxydibenz[a,j]anthracene
SpectraBase Compound ID IF0lnHhv6PV
InChI InChI=1S/C22H16O3/c23-15-4-6-16-14(10-15)2-1-12-9-13-3-5-18-17(20(13)11-19(12)16)7-8-21(24)22(18)25/h1-11,21-25H/t21-,22-/m0/s1
InChIKey MITXTOMAHUEUCW-VXKWHMMOSA-N
Mol Weight 328.37 g/mol
Molecular Formula C22H16O3
Exact Mass 328.109944 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuWOp5q2yrO
Name trans-3,4-Dihydroxy-3,4-dihydro-11-hydroxydibenz[a,j]anthracene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16O3
InChI InChI=1S/C22H16O3/c23-15-4-6-16-14(10-15)2-1-12-9-13-3-5-18-17(20(13)11-19(12)16)7-8-21(24)22(18)25/h1-11,21-25H/t21-,22-/m0/s1
InChIKey MITXTOMAHUEUCW-VXKWHMMOSA-N
Molecular Weight 328.367 g/mol
SMILES O[C@]1(c2c(C=C[C@@]1(O)[H])c1c(cc2)cc2ccc3c(c2c1)ccc(c3)O)[H]
SPLASH splash10-03di-0009000000-e830669098e182f2d318
Source of Spectrum J-63-8132-3
Synonyms (3S,4S)-3,4-dihydrodibenzo[a,j]anthracene-3,4,11-triol
Wiley ID 1326736
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