Debug Info

object
{15}
_id
:
6QHNtTkn9Bi
spectrumID
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6QHNtTkn9Bi
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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CNHS6X:251:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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false
spectralOutlier
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false
compound
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1735074081058
isDeprecated
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false

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p-Quinquephenyl
SpectraBase Compound ID 6Mp71tQMFCd
InChI InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
InChIKey OMCUOJTVNIHQTI-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QHNtTkn9Bi
Name p-Quinquephenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.172150708 u
Formula C30H22
InChI InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
InChIKey OMCUOJTVNIHQTI-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES C=1C(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=CC=C5)C=C4)C=C3)C=C2)=CC=CC1
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