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2-[(2-benzimidazolylmethyl)thio]tetradecanoic acid, ethyl ester

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

2-[(2-benzimidazolylmethyl)thio]tetradecanoic acid, ethyl ester
SpectraBase Compound ID 5EblAtjj9E3
InChI InChI=1S/C24H38N2O2S/c1-3-5-6-7-8-9-10-11-12-13-18-22(24(27)28-4-2)29-19-23-25-20-16-14-15-17-21(20)26-23/h14-17,22H,3-13,18-19H2,1-2H3,(H,25,26)
InChIKey KMHZLOLLCIMACP-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C24H38N2O2S
Exact Mass 418.2654 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoZ75ku3GVi
Name 2-[(2-benzimidazolylmethyl)thio]tetradecanoic acid, ethyl ester
Source of Sample V. Cranmer, Icianz, Central Research Laboratories, Canberra, Australia
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38N2O2S
InChI InChI=1S/C24H38N2O2S/c1-3-5-6-7-8-9-10-11-12-13-18-22(24(27)28-4-2)29-19-23-25-20-16-14-15-17-21(20)26-23/h14-17,22H,3-13,18-19H2,1-2H3,(H,25,26)
InChIKey KMHZLOLLCIMACP-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 6572M
Solvent CDCl3
Synonyms TETRADECANOIC ACID, 2-/2-BENZ- IMIDAZOLYLMETHYLTHIO/-, ETHYL ESTER