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tetradecanethioic acid, S-ester with N-[(2-mercaptoethyl)amidino]tetradecanamide, hydrochloride
SpectraBase Compound ID F1xBKjIwEtL
InChI InChI=1S/C31H61N3O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(35)34-31(32)33-27-28-37-30(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H3,32,33,34,35)
InChIKey ANSLMPSHKHWHIW-UHFFFAOYSA-N
Mol Weight 539.9 g/mol
Molecular Formula C31H61N3O2S
Exact Mass 539.448449 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rZMWQUVDft
Name tetradecanethioic acid, S-ester with N-[(2-mercaptoethyl)amidino]tetradecanamide, hydrochloride
Source of Sample W. O. FOYE, MASSACHUSETTS COLLEGE OF PHARMACY, BOSTON, MASSACHUSETTS
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H61N3O2S
InChI InChI=1S/C31H61N3O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(35)34-31(32)33-27-28-37-30(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H3,32,33,34,35)
InChIKey ANSLMPSHKHWHIW-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5137M
Solvent CDCl3
Synonyms TETRADECANOIC ACID, THIO-, S-/2-/3- TETRADECANOYLGUANIDINO/ETHYL/ ESTER, HYDROCHLORIDE