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1-{4-[4-(Dodecylsulfanyl)-6-methyl[1,8]naphthyridin-2-yl]phenyl}ethan-1-one
SpectraBase Compound ID C7jJ37Ji9Bs
InChI InChI=1S/C29H38N2OS/c1-4-5-6-7-8-9-10-11-12-13-18-33-28-20-27(25-16-14-24(15-17-25)23(3)32)31-29-26(28)19-22(2)21-30-29/h14-17,19-21H,4-13,18H2,1-3H3
InChIKey PTGVJRKREFFVKY-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H38N2OS
Exact Mass 462.270485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6g98NGjBBU1
Name 1-{4-[4-(Dodecylsulfanyl)-6-methyl[1,8]naphthyridin-2-yl]phenyl}ethan-1-one
Alternate Name(s) 1-{4-[4-(Dodecylsulfanyl)-6-methyl[1,8]naphthyridin-2-yl]phenyl}ethane-1-one 1-{4-[4-(dodecylsulfanyl)-6-methyl[1,8]naphthyridin-2-yl]phenyl}ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2OS
InChI InChI=1S/C29H38N2OS/c1-4-5-6-7-8-9-10-11-12-13-18-33-28-20-27(25-16-14-24(15-17-25)23(3)32)31-29-26(28)19-22(2)21-30-29/h14-17,19-21H,4-13,18H2,1-3H3
InChIKey PTGVJRKREFFVKY-UHFFFAOYSA-N
Molecular Weight 462.696 g/mol
SMILES c12c(c(SCCCCCCCCCCCC)cc(n2)-c2ccc(cc2)C(=O)C)cc(cn1)C
SPLASH splash10-0006-0090400000-ec20d1e7cbdec1e753cd
Source of Spectrum C5-2002-1916-3
Wiley ID 1615010