Debug Info

object
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_id
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HpYbrBCuN0K
spectrumID
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HpYbrBCuN0K
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analyticalTechnique
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Vapor Phase IR
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Vapor Phase (Gas) Infrared Spectrum
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Benzenamine, N-(5-bromo-2,4-dimethoxybenzylidene)-4-ethoxy-
SpectraBase Compound ID JJt9yXWWq8
InChI InChI=1S/C17H18BrNO3/c1-4-22-14-7-5-13(6-8-14)19-11-12-9-15(18)17(21-3)10-16(12)20-2/h5-11H,4H2,1-3H3/b19-11+
InChIKey WJUWPIMCJPRNIQ-YBFXNURJSA-N
Mol Weight 364.24 g/mol
Molecular Formula C17H18BrNO3
Exact Mass 363.047006 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HpYbrBCuN0K
Name Benzenamine, N-(5-bromo-2,4-dimethoxybenzylidene)-4-ethoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.047006441 u
Formula C17H18BrNO3
InChI InChI=1S/C17H18BrNO3/c1-4-22-14-7-5-13(6-8-14)19-11-12-9-15(18)17(21-3)10-16(12)20-2/h5-11H,4H2,1-3H3/b19-11+
InChIKey WJUWPIMCJPRNIQ-YBFXNURJSA-N
Molecular Weight 364.239 g/mol
SMILES C1(=C(C=C(C(=C1)Br)OC)OC)\C=N\C1=CC=C(OCC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93007
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