Debug Info

object
{15}
_id
:
EqqQr30duBG
spectrumID
:
EqqQr30duBG
cost
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1
specType
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512
xnmrNucleus
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0
dbLocation
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VPSS1X:179173:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
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Vapor Phase IR
analyticalTechniqueLongName
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Vapor Phase (Gas) Infrared Spectrum
isFullSpectrum
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true
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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2,3-Bis(4-methoxyphenyl)-9H-xanthen-9-one
SpectraBase Compound ID BSTuacce8gG
InChI InChI=1S/C27H20O4/c1-29-19-11-7-17(8-12-19)22-15-24-26(31-25-6-4-3-5-21(25)27(24)28)16-23(22)18-9-13-20(30-2)14-10-18/h3-16H,1-2H3
InChIKey VVJLBJDCCDPHSW-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C27H20O4
Exact Mass 408.136159 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EqqQr30duBG
Name 2,3-bis(4-Methoxyphenyl)-9H-xanthen-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.136159120 u
Formula C27H20O4
InChI InChI=1S/C27H20O4/c1-29-19-11-7-17(8-12-19)22-15-24-26(31-25-6-4-3-5-21(25)27(24)28)16-23(22)18-9-13-20(30-2)14-10-18/h3-16H,1-2H3
InChIKey VVJLBJDCCDPHSW-UHFFFAOYSA-N
Molecular Weight 408.453 g/mol
SMILES C1=2C(C=3C=CC=CC3OC2C=C(C(=C1)C=1C=CC(=CC1)OC)C1=CC=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854518
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