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Ethyl 3-octadecanoylindole-2-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7h8msb65mNa
Name Ethyl 3-octadecanoylindole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.339944310 u
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 C=1(NC=2C=CC=CC2C1C(CCCCCCCCCCCCCCCCC)=O)C(=O)OCC