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Methyl 3-(1,3,5-trimethyl-4-octadecanoylpyrrol-2-yl)propionate
SpectraBase Compound ID AJPu6QvaWw3
InChI InChI=1S/C29H51NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)29-24(2)26(30(4)25(29)3)22-23-28(32)33-5/h6-23H2,1-5H3
InChIKey HSSTUKLBPPMXMC-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C29H51NO3
Exact Mass 461.386895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51OZ2BjpzID
Name Methyl 3-(1',3',5'-trimethyl-4'-octadecanoylpyrrol-2'-yl)-propionate
Alternate Name(s) Benzyl 3-(1',3',5'-trimethyl-4'-octadecanoylpyrrol-2'-yl)-propionate Methyl 3-(1,3,5-trimethyl-4-stearoyl-1H-pyrrol-2-yl)propanoate 3-[1,3,5-trimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester Methyl 3-(1,3,5-trimethyl-4-octadecanoylpyrrol-2-yl)propanoate Methyl 3-(1,3,5-trimethyl-4-octadecanoyl-pyrrol-2-yl)propanoate
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Formula C29H51NO3
InChI InChI=1S/C29H51NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)29-24(2)26(30(4)25(29)3)22-23-28(32)33-5/h6-23H2,1-5H3
InChIKey HSSTUKLBPPMXMC-UHFFFAOYSA-N
Molecular Weight 461.731 g/mol
SMILES c1(c([n](C)c(c1C)CCC(=O)OC)C)C(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-03k9-0151900000-d87e6a6918afe24baf75
Source of Spectrum D8-329-487-15
Wiley ID 1516283