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3-(4-Toluoyl)-propanal diethyl acetal

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

3-(4-Toluoyl)-propanal diethyl acetal
SpectraBase Compound ID 2DIWNhvrGSf
InChI InChI=1S/C15H22O3/c1-4-17-15(18-5-2)11-10-14(16)13-8-6-12(3)7-9-13/h6-9,15H,4-5,10-11H2,1-3H3
InChIKey LKIGCKNDYNMYMU-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IegsSEzvMzh
Name 1-Butanone, 4,4-diethoxy-1-(4-methylphenyl)-
Alternate Name(s) 3-(p-toluoyl)propanal diethyl acetal 4,4-Diethoxy-1-(4-methylphenyl)-1-butanone
CAS Registry Number 119702-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-4-17-15(18-5-2)11-10-14(16)13-8-6-12(3)7-9-13/h6-9,15H,4-5,10-11H2,1-3H3
InChIKey LKIGCKNDYNMYMU-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C(c1ccc(cc1)C)(=O)CCC(OCC)OCC
SPLASH splash10-0gb9-5910000000-c4bf65a07a24abaa4c90
Source of Spectrum KC-1988-3116-23
Wiley ID 1253676