Debug Info

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3CyiKqL0N4T
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3CyiKqL0N4T
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Vapor Phase IR
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Vapor Phase (Gas) Infrared Spectrum
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3-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3,4-trimethylindolin-2-one
SpectraBase Compound ID KtjAYqskIoz
InChI InChI=1S/C20H21NO3/c1-13-6-5-7-16-18(13)20(2,19(23)21(16)3)12-17(22)14-8-10-15(24-4)11-9-14/h5-11H,12H2,1-4H3
InChIKey IGSFFRKMZHYWNV-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3CyiKqL0N4T
Name 3-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-1,3,4-trimethyl-indolin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.152143537 u
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-13-6-5-7-16-18(13)20(2,19(23)21(16)3)12-17(22)14-8-10-15(24-4)11-9-14/h5-11H,12H2,1-4H3
InChIKey IGSFFRKMZHYWNV-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES C1(C(N(C)C=2C1=C(C=CC2)C)=O)(CC(C1=CC=C(C=C1)OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868797
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