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thiooctanoic acid, S-[2-(3-octanoylguanidino)ethyl] ester, monohydrochloride

View entire compound with spectra: 1 NMR

thiooctanoic acid, S-[2-(3-octanoylguanidino)ethyl] ester, monohydrochloride
SpectraBase Compound ID CR2aZNpMdDb
InChI InChI=1S/C19H37N3O2S/c1-3-5-7-9-11-13-17(23)22-19(20)21-15-16-25-18(24)14-12-10-8-6-4-2/h3-16H2,1-2H3,(H3,20,21,22,23)
InChIKey ZBKYQLQHQNMUFN-UHFFFAOYSA-N
Mol Weight 371.6 g/mol
Molecular Formula C19H37N3O2S
Exact Mass 371.260649 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHk3HvYTtix
Name thiooctanoic acid, S-[2-(3-octanoylguanidino)ethyl] ester, monohydrochloride
Source of Sample W. FOYE, MASSACHUSETTS COLLEGE OF PHARMACY, BOSTON, MASSACHUSETTS
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H37N3O2S
InChI InChI=1S/C19H37N3O2S/c1-3-5-7-9-11-13-17(23)22-19(20)21-15-16-25-18(24)14-12-10-8-6-4-2/h3-16H2,1-2H3,(H3,20,21,22,23)
InChIKey ZBKYQLQHQNMUFN-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5126M
Solvent CDCl3