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N-(4,4-Dimethyl-3-oxopentylidene)aniline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(4,4-Dimethyl-3-oxopentylidene)aniline
SpectraBase Compound ID F1odGuTolGH
InChI InChI=1S/C13H17NO/c1-13(2,3)12(15)9-10-14-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b14-10+
InChIKey IONCVHFCDJHPSE-GXDHUFHOSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ReTc4USAGX
Name N-(4,4-Dimethyl-3-oxopentylidene)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.131014170 u
Formula C13H17NO
InChI InChI=1S/C13H17NO/c1-13(2,3)12(15)9-10-14-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b14-10+
InChIKey IONCVHFCDJHPSE-GXDHUFHOSA-N
Molecular Weight 203.285 g/mol
SMILES C1=CC(=CC=C1)\N=C\CC(=O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824412