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Methyl 3-[(3',5'-dimethyl-4'-octadecanoyl)pyrrol-2'-yl]propionate
SpectraBase Compound ID 94RradCxqNf
InChI InChI=1S/C28H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)28-23(2)25(29-24(28)3)21-22-27(31)32-4/h29H,5-22H2,1-4H3
InChIKey FROWVPDQZQBITN-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C28H49NO3
Exact Mass 447.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70xMtFbulQ9
Name Methyl 3-[(3',5'-dimethyl-4'-octadecanoyl)pyrrol-2'-yl]propionate
Alternate Name(s) Methyl 3-(3,5-dimethyl-4-stearoyl-1H-pyrrol-2-yl)propanoate 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1H-pyrrol-2-yl]propanoic acid methyl ester Methyl 3-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)propanoate
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Formula C28H49NO3
InChI InChI=1S/C28H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)28-23(2)25(29-24(28)3)21-22-27(31)32-4/h29H,5-22H2,1-4H3
InChIKey FROWVPDQZQBITN-UHFFFAOYSA-N
Molecular Weight 447.704 g/mol
SMILES [nH]1c(c(c(c1C)C(=O)CCCCCCCCCCCCCCCCC)C)CCC(=O)OC
SPLASH splash10-0a6r-0490200000-5d414a0f850dca305fbf
Source of Spectrum D8-329-486-5
Wiley ID 1516289