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3-Methyl-2-(1-octylnonyl)-1H-quinolin-4-one
SpectraBase Compound ID CUspXdYPrIE
InChI InChI=1S/C27H43NO/c1-4-6-8-10-12-14-18-23(19-15-13-11-9-7-5-2)26-22(3)27(29)24-20-16-17-21-25(24)28-26/h16-17,20-21,23H,4-15,18-19H2,1-3H3,(H,28,29)
InChIKey IOMMUQCZHLERSK-UHFFFAOYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C27H43NO
Exact Mass 397.334465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iPi4jjEcxg
Name 3-Methyl-2-(1-octylnonyl)-1H-quinolin-4-one
Alternate Name(s) 3-Methyl-2-(1-octylnonyl)-4(1H)-quinolinone 2-Heptadecan-9-yl-3-methyl-1H-quinolin-4-one 3-Methyl-2-(1-octylnonyl)-4-quinolone
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO
InChI InChI=1S/C27H43NO/c1-4-6-8-10-12-14-18-23(19-15-13-11-9-7-5-2)26-22(3)27(29)24-20-16-17-21-25(24)28-26/h16-17,20-21,23H,4-15,18-19H2,1-3H3,(H,28,29)
InChIKey IOMMUQCZHLERSK-UHFFFAOYSA-N
Molecular Weight 397.647 g/mol
SMILES N1C(=C(C(c2ccccc12)=O)C)C(CCCCCCCC)CCCCCCCC
SPLASH splash10-000i-3973000000-5b5c20953679142b82c3
Wiley ID 1474987