Debug Info

object
{15}
_id
:
1P3R8B8OM9s
spectrumID
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1P3R8B8OM9s
cost
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1
specType
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512
xnmrNucleus
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dbLocation
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VPSS1X:100182:1
hasStructureAssignments
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properties
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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-Phenyl-6,7-dihydro-2H-pyrrolo[1,2-c]imidazol-3(5H)-one
SpectraBase Compound ID 9M2ST7NqIp1
InChI InChI=1S/C12H12N2O/c15-12-13-8-4-7-11(13)9-14(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKey FXIGWCDLSCPEKE-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1P3R8B8OM9s
Name 2-Phenyl-6,7-dihydro-2H-pyrrolo[1,2-C]imidazol-3(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.094963013 u
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c15-12-13-8-4-7-11(13)9-14(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKey FXIGWCDLSCPEKE-UHFFFAOYSA-N
Molecular Weight 200.241 g/mol
SMILES C1(N2C(=CN1C1=CC=CC=C1)CCC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941448
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