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2-Benzoyloctadecanoic acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

2-Benzoyloctadecanoic acid, ethyl ester
SpectraBase Compound ID H6KPgpUCKos
InChI InChI=1S/C27H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(27(29)30-4-2)26(28)24-21-18-17-19-22-24/h17-19,21-22,25H,3-16,20,23H2,1-2H3
InChIKey YZNVOVMEJIKNMV-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lOEAptEnEj
Name 2-Benzoyloctadecanoic acid, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.329045274 u
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(27(29)30-4-2)26(28)24-21-18-17-19-22-24/h17-19,21-22,25H,3-16,20,23H2,1-2H3
InChIKey YZNVOVMEJIKNMV-UHFFFAOYSA-N
Molecular Weight 416.646 g/mol
SMILES C=1C(=CC=CC1)C(C(CCCCCCCCCCCCCCCC)C(OCC)=O)=O