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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 6na5JWOtyDj
Name Methyl 3-(1,3,5-trimethyl-4-octadecanoylpyrrol-2-yl)propionate
Alternate Name(s) Methyl 3-(1,3,5-trimethyl-4-stearoyl-1H-pyrrol-2-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 C(CCc1[n](c(c(c1C)C(CCCCCCCCCCCCCCCCC)=O)C)C)(=O)OC
SPLASH splash10-00di-0392200000-e39325aa68f2c1d02ea2
Source of Spectrum APC-329-487-15
Wiley ID 1799204