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3-Dodecyl-2-methyl-1H-quinolin-4-one

View entire compound with spectra: 2 MS (GC)

3-Dodecyl-2-methyl-1H-quinolin-4-one
SpectraBase Compound ID CYI0XbwHemV
InChI InChI=1S/C22H33NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-18(2)23-21-17-14-13-16-20(21)22(19)24/h13-14,16-17H,3-12,15H2,1-2H3,(H,23,24)
InChIKey CXAIZILDBDEEJS-UHFFFAOYSA-N
Mol Weight 327.5 g/mol
Molecular Formula C22H33NO
Exact Mass 327.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DHFJiTU7oU
Name 3-Dodecyl-2-methyl-1H-quinolin-4-one
Alternate Name(s) 3-Dodecyl-2-methyl-4(1H)-quinolinone 3-lauryl-2-methyl-4-quinolone
CAS Registry Number 51688-52-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO
InChI InChI=1S/C22H33NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-18(2)23-21-17-14-13-16-20(21)22(19)24/h13-14,16-17H,3-12,15H2,1-2H3,(H,23,24)
InChIKey CXAIZILDBDEEJS-UHFFFAOYSA-N
Molecular Weight 327.512 g/mol
SMILES N1C(=C(C(c2ccccc12)=O)CCCCCCCCCCCC)C
SPLASH splash10-00di-2911000000-5570328dbc3d68b257d1
Wiley ID 1474924