Debug Info

object
{15}
_id
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aqAoKIlQuQ
spectrumID
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aqAoKIlQuQ
cost
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1
specType
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512
xnmrNucleus
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dbLocation
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VPSS1X:201703:1
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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compound
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2-(Dimethylamino)-3-(2-hydroxy-4-nitrobenzoyl)-N,N-dimethylacrylamide
SpectraBase Compound ID BU57U56ulpX
InChI InChI=1S/C14H17N3O5/c1-15(2)11(14(20)16(3)4)8-13(19)10-6-5-9(17(21)22)7-12(10)18/h5-8,18H,1-4H3/b11-8-
InChIKey FWRGNHNWFFQDRU-FLIBITNWSA-N
Mol Weight 307.31 g/mol
Molecular Formula C14H17N3O5
Exact Mass 307.116821 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID aqAoKIlQuQ
Name 2-(Dimethylamino)-3-(2-hydroxy-4-nitrobenzoyl)-N,N-dimethylacrylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.116820654 u
Formula C14H17N3O5
InChI InChI=1S/C14H17N3O5/c1-15(2)11(14(20)16(3)4)8-13(19)10-6-5-9(17(21)22)7-12(10)18/h5-8,18H,1-4H3/b11-8-
InChIKey FWRGNHNWFFQDRU-FLIBITNWSA-N
Molecular Weight 307.306 g/mol
SMILES C(\C=C\(C(N(C)C)=O)N(C)C)(C=1C(=CC(N(=O)=O)=CC1)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972028
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