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Benzyl 3-(3',5'-dimethyl-4'-octadecanoylpyrrol-2'-yl)-acrylate
SpectraBase Compound ID JpWPrFdYGLE
InChI InChI=1S/C34H51NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(36)34-28(2)31(35-29(34)3)25-26-33(37)38-27-30-22-19-18-20-23-30/h18-20,22-23,25-26,35H,4-17,21,24,27H2,1-3H3/b26-25+
InChIKey NAKZOPAVUBYQOG-OCEACIFDSA-N
Mol Weight 521.8 g/mol
Molecular Formula C34H51NO3
Exact Mass 521.386895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GAd4p7KaUW
Name Benzyl 3-(3',5'-dimethyl-4'-octadecanoylpyrrol-2'-yl)-acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H51NO3
InChI InChI=1S/C34H51NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(36)34-28(2)31(35-29(34)3)25-26-33(37)38-27-30-22-19-18-20-23-30/h18-20,22-23,25-26,35H,4-17,21,24,27H2,1-3H3/b26-25+
InChIKey NAKZOPAVUBYQOG-OCEACIFDSA-N
Molecular Weight 521.786 g/mol
SMILES [nH]1c(c(c(c1C)C(=O)CCCCCCCCCCCCCCCCC)C)\C=C\C(=O)OCc1ccccc1
SPLASH splash10-00di-0980020000-1b023821c925814f1e24
Source of Spectrum D8-329-487-10
Synonyms benzyl (2E)-3-(3,5-dimethyl-4-stearoyl-1H-pyrrol-2-yl)-2-propenoate
Wiley ID 1516284