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2-benzoyloctadecanoic acid, ethyl ester

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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUSAoUIEn1H
Name 2-benzoyloctadecanoic acid, ethyl ester
Source of Sample H. Wamhoff, University of Bonn, Bonn, Germany
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Instrument Name Varian A-60
Sadtler NMR Number 7856M
Solvent CDCl3
Synonyms OCTADECANOIC ACID, 2-BENZOYL-, ETHYL ESTER STEARIC ACID, 2-BENZOYL-, ETHYL ESTER