Debug Info

object
{15}
_id
:
KgQF8uugZBr
spectrumID
:
KgQF8uugZBr
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:594412:1
hasStructureAssignments
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properties
{10}
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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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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1,1,7-Triphenyl-4,5-bis(p-bromophenyl)hepta-1,4,6-triene
SpectraBase Compound ID EyP5lvG78Kq
InChI InChI=1S/C37H28Br2/c38-33-21-17-31(18-22-33)36(25-16-28-10-4-1-5-11-28)37(32-19-23-34(39)24-20-32)27-26-35(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-26H,27H2/b25-16+,37-36+
InChIKey ROANYMSWRUJROI-WBQVALOTSA-N
Mol Weight 632.4 g/mol
Molecular Formula C37H28Br2
Exact Mass 630.055777 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgQF8uugZBr
Name 1,1,7-Triphenyl-4,5-bis(p-bromophenyl)hepta-1,4,6-triene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H28Br2
InChI InChI=1S/C37H28Br2/c38-33-21-17-31(18-22-33)36(25-16-28-10-4-1-5-11-28)37(32-19-23-34(39)24-20-32)27-26-35(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-26H,27H2/b25-16+,37-36+
InChIKey ROANYMSWRUJROI-WBQVALOTSA-N
Molecular Weight 632.439 g/mol
SMILES C(\C(=C\(\C=C\c1ccccc1)c1ccc(cc1)Br)c1ccc(cc1)Br)C=C(c1ccccc1)c1ccccc1
SPLASH splash10-001i-1332009000-9310e419ea2ce6420304
Source of Spectrum F-67-5736-3ae
Wiley ID 1687283
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