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3,5-Dimethyl-4-[11'-(hydrothia)undecyloxy]-1-{[N-formyl-N-methyl>amino)](isopropylmethyl)carbonyl]amino}-benzene
SpectraBase Compound ID JK38Ras3HUd
InChI InChI=1S/C26H44N2O3S/c1-20(2)24(28(5)19-29)26(30)27-23-17-21(3)25(22(4)18-23)31-15-13-11-9-7-6-8-10-12-14-16-32/h17-20,24,32H,6-16H2,1-5H3,(H,27,30)/t24-/m0/s1
InChIKey GDXPGTALBFKMDF-DEOSSOPVSA-N
Mol Weight 464.7 g/mol
Molecular Formula C26H44N2O3S
Exact Mass 464.307264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8US5AxeAwz1
Name 3,5-Dimethyl-4-[11'-(hydrothia)undecyloxy]-1-{[N-formyl-N-methyl>amino)](isopropylmethyl)carbonyl]amino}-benzene
Alternate Name(s) (2S)-2-[formyl(methyl)amino]-N-[4-(11-mercaptoundecoxy)-3,5-dimethylphenyl]-3-methylbutanamide (2S)-N-[3,5-dimethyl-4-(11-sulfanylundecoxy)phenyl]-2-[formyl(methyl)amino]-3-methylbutanamide (2S)-N-[3,5-dimethyl-4-(11-sulfanylundecoxy)phenyl]-2-[formyl(methyl)amino]-3-methyl-butanamide (2S)-N-[3,5-dimethyl-4-(11-sulfanylundecoxy)phenyl]-2-[methanoyl(methyl)amino]-3-methyl-butanamide
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Formula C26H44N2O3S
InChI InChI=1S/C26H44N2O3S/c1-20(2)24(28(5)19-29)26(30)27-23-17-21(3)25(22(4)18-23)31-15-13-11-9-7-6-8-10-12-14-16-32/h17-20,24,32H,6-16H2,1-5H3,(H,27,30)/t24-/m0/s1
InChIKey GDXPGTALBFKMDF-DEOSSOPVSA-N
Molecular Weight 464.709 g/mol
SMILES N(C([C@@](N(C=O)C)(C(C)C)[H])=O)c1cc(c(OCCCCCCCCCCCS)c(c1)C)C
SPLASH splash10-03k9-2904300000-5392bd2075e8c2b8938d
Source of Spectrum F5-7-1882-14
Wiley ID 1696442