Debug Info

object
{15}
_id
:
9PxBdGdQiDt
spectrumID
:
9PxBdGdQiDt
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:83163:1
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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false
spectralOutlier
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compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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(3S,3aR)-3-Chloro-1-N-(p-chlorophenyl)-3,3a-dihydro-azaazulen-2(1H)-one
SpectraBase Compound ID BwgJXHriJHl
InChI InChI=1S/C15H11Cl2NO/c16-10-6-8-11(9-7-10)18-13-5-3-1-2-4-12(13)14(17)15(18)19/h1-9,12,14H/t12-,14+/m1/s1
InChIKey VBYYJRXHJUBIHG-OCCSQVGLSA-N
Mol Weight 292.17 g/mol
Molecular Formula C15H11Cl2NO
Exact Mass 291.021769 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PxBdGdQiDt
Name (3S,3aR)-3-Chloro-1-N-(p-chlorophenyl)-3,3a-dihydro-azaazulen-2(1H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11Cl2NO
InChI InChI=1S/C15H11Cl2NO/c16-10-6-8-11(9-7-10)18-13-5-3-1-2-4-12(13)14(17)15(18)19/h1-9,12,14H/t12-,14+/m1/s1
InChIKey VBYYJRXHJUBIHG-OCCSQVGLSA-N
Molecular Weight 292.165 g/mol
SMILES C1(N(C=2[C@]([C@@]1(Cl)[H])(C=CC=CC2)[H])c1ccc(cc1)Cl)=O
SPLASH splash10-0a4i-0090000000-5c3f7a7008128d3e41a7
Source of Spectrum AJ-65-815-6
Synonyms (3S,3aR)-3-chloro-1-(4-chlorophenyl)-3,3a-dihydrocyclohepta[b]pyrrol-2(1H)-one 3-Chloro-1-N-(p-chlorophenyl)-azaazulen-2(1H)-one
Wiley ID 771185
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