Debug Info

object
{15}
_id
:
A8SRnanFnxr
spectrumID
:
A8SRnanFnxr
cost
:
1
specType
:
524288
xnmrNucleus
:
0
dbLocation
:
RMSS7X:107:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
:
Raman
analyticalTechniqueLongName
:
Raman Spectrum
isFullSpectrum
:
true
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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  • SearchStructure
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2',5'-Diethyl-3,4-dimethyl-4',6'-diphenyl-m-terphenyl
SpectraBase Compound ID 2GzJr5bpw1y
InChI InChI=1S/C36H34/c1-5-31-33(27-16-10-7-11-17-27)34(28-18-12-8-13-19-28)32(6-2)36(30-23-22-25(3)26(4)24-30)35(31)29-20-14-9-15-21-29/h7-24H,5-6H2,1-4H3
InChIKey HPTRVUPGGQNFHT-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C36H34
Exact Mass 466.266051 g/mol
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Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A8SRnanFnxr
Name 2',5'-Diethyl-3,4-dimethyl-4',6'-diphenyl-m-terphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.266051095 u
Formula C36H34
InChI InChI=1S/C36H34/c1-5-31-33(27-16-10-7-11-17-27)34(28-18-12-8-13-19-28)32(6-2)36(30-23-22-25(3)26(4)24-30)35(31)29-20-14-9-15-21-29/h7-24H,5-6H2,1-4H3
InChIKey HPTRVUPGGQNFHT-UHFFFAOYSA-N
Molecular Weight 466.668 g/mol
SMILES C1=CC(=CC=C1)C1=C(C(=C(C(=C1C=1C=CC=CC1)CC)C=1C=CC=CC1)C=1C=C(C(=CC1)C)C)CC
Spectrum/Structure Validation Score (Raman) 0.809185
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