Debug Info

object
{15}
_id
:
DyJPcc14cH0
spectrumID
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DyJPcc14cH0
cost
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1
specType
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512
xnmrNucleus
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dbLocation
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VPSS1X:159128:1
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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N-(Tert-butyl)-2-(2-methylphenyl)-4H-3,1-benzoxazine-4-carboxamide
SpectraBase Compound ID 8gvueRMWIA6
InChI InChI=1S/C20H22N2O2/c1-13-9-5-6-10-14(13)19-21-16-12-8-7-11-15(16)17(24-19)18(23)22-20(2,3)4/h5-12,17H,1-4H3,(H,22,23)
InChIKey ZJAAZUCGGGTGTF-UHFFFAOYSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DyJPcc14cH0
Name N-(Tert-butyl)-2-(2-methylphenyl)-4H-3,1-benzoxazine-4-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.168127954 u
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-13-9-5-6-10-14(13)19-21-16-12-8-7-11-15(16)17(24-19)18(23)22-20(2,3)4/h5-12,17H,1-4H3,(H,22,23)
InChIKey ZJAAZUCGGGTGTF-UHFFFAOYSA-N
Molecular Weight 322.408 g/mol
SMILES C1(=NC2=CC=CC=C2C(O1)C(NC(C)(C)C)=O)C=1C(C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851203
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