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Ethyl 3-octadecanoylindole-2-carboxylate
SpectraBase Compound ID FbWwdTsTqiR
InChI InChI=1S/C29H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(31)27-24-21-19-20-22-25(24)30-28(27)29(32)33-4-2/h19-22,30H,3-18,23H2,1-2H3
InChIKey FHLGBDLILUMCPL-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C29H45NO3
Exact Mass 455.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DcWz2eVqqH
Name Ethyl 3-octadecanoylindole-2-carboxylate
Alternate Name(s) ethyl 3-stearoyl-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C29H45NO3
InChI InChI=1S/C29H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(31)27-24-21-19-20-22-25(24)30-28(27)29(32)33-4-2/h19-22,30H,3-18,23H2,1-2H3
InChIKey FHLGBDLILUMCPL-UHFFFAOYSA-N
Molecular Weight 455.683 g/mol
SMILES [nH]1c2ccccc2c(c1C(=O)OCC)C(CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-056r-0000900000-9b5d855316836bd377c3
Source of Spectrum D8-329-389-4
Wiley ID 1516244