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3-Anilino-3-(2-but-2-oxyphenyl)propanenitrile
SpectraBase Compound ID F2yEYTUP9xt
InChI InChI=1S/C19H22N2O/c1-3-15(2)22-19-12-8-7-11-17(19)18(13-14-20)21-16-9-5-4-6-10-16/h4-12,15,18,21H,3,13H2,1-2H3
InChIKey OGWPJGMSTSGTBU-UHFFFAOYSA-N
Mol Weight 294.4 g/mol
Molecular Formula C19H22N2O
Exact Mass 294.173213 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IkYj06mjTSR
Name 3-Anilino-3-(2-but-2-oxyphenyl)propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.173213335 u
Formula C19H22N2O
InChI InChI=1S/C19H22N2O/c1-3-15(2)22-19-12-8-7-11-17(19)18(13-14-20)21-16-9-5-4-6-10-16/h4-12,15,18,21H,3,13H2,1-2H3
InChIKey OGWPJGMSTSGTBU-UHFFFAOYSA-N
SMILES C(OC1=C(C=CC=C1)C(CC#N)NC1=CC=CC=C1)(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869128