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1-(4-Butylphenyl)-3-(dimethylamino)-1-propanone

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

1-(4-Butylphenyl)-3-(dimethylamino)-1-propanone
SpectraBase Compound ID IFRrUPZ2tmB
InChI InChI=1S/C15H23NO/c1-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16(2)3/h7-10H,4-6,11-12H2,1-3H3
InChIKey KDYXMRKKCLXREV-UHFFFAOYSA-N
Mol Weight 233.35 g/mol
Molecular Formula C15H23NO
Exact Mass 233.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6uS6eqOo22N
Name 1-(4-Butylphenyl)-3-(dimethylamino)-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.177964364 u
Formula C15H23NO
InChI InChI=1S/C15H23NO/c1-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16(2)3/h7-10H,4-6,11-12H2,1-3H3
InChIKey KDYXMRKKCLXREV-UHFFFAOYSA-N
Molecular Weight 233.355 g/mol
SMILES C(CCN(C)C)(C=1C=CC(=CC1)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908885