Debug Info

object
{15}
_id
:
FvqywhFmHxE
spectrumID
:
FvqywhFmHxE
cost
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1
specType
:
512
xnmrNucleus
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0
dbLocation
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VPSS1X:117796:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
:
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
:
1735074081058
isDeprecated
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false

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4-Imidazolidinone, 2-(1,1-dimethylethyl)-3-methyl-5-phenyl-, (2S-trans)-
SpectraBase Compound ID KdN2XsB7KtD
InChI InChI=1S/C14H20N2O/c1-14(2,3)13-15-11(12(17)16(13)4)10-8-6-5-7-9-10/h5-9,11,13,15H,1-4H3/t11-,13+/m1/s1
InChIKey FVMFOUUVJQEDMF-YPMHNXCESA-N
Mol Weight 232.33 g/mol
Molecular Formula C14H20N2O
Exact Mass 232.157563 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FvqywhFmHxE
Name 4-Imidazolidinone, 2-(1,1-dimethylethyl)-3-methyl-5-phenyl-, (2S-trans)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.157563271 u
Formula C14H20N2O
InChI InChI=1S/C14H20N2O/c1-14(2,3)13-15-11(12(17)16(13)4)10-8-6-5-7-9-10/h5-9,11,13,15H,1-4H3/t11-,13+/m1/s1
InChIKey FVMFOUUVJQEDMF-YPMHNXCESA-N
Molecular Weight 232.327 g/mol
SMILES C1(N([C@](N[C@@]1(C1=CC=CC=C1)[H])(C(C)(C)C)[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854707
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