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thioheptanoic acid, S-[2-(3-heptanoylguanidino)ethyl] ester, monohydrochloride

View entire compound with spectra: 1 NMR

thioheptanoic acid, S-[2-(3-heptanoylguanidino)ethyl] ester, monohydrochloride
SpectraBase Compound ID IRXfX5qTCe4
InChI InChI=1S/C17H33N3O2S/c1-3-5-7-9-11-15(21)20-17(18)19-13-14-23-16(22)12-10-8-6-4-2/h3-14H2,1-2H3,(H3,18,19,20,21)
InChIKey ZKIAPNLISHEVBQ-UHFFFAOYSA-N
Mol Weight 343.5 g/mol
Molecular Formula C17H33N3O2S
Exact Mass 343.229348 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6eS6e9dvzF
Name thioheptanoic acid, S-[2-(3-heptanoylguanidino)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 C17H33N3O2S
InChI InChI=1S/C17H33N3O2S/c1-3-5-7-9-11-15(21)20-17(18)19-13-14-23-16(22)12-10-8-6-4-2/h3-14H2,1-2H3,(H3,18,19,20,21)
InChIKey ZKIAPNLISHEVBQ-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5184M
Solvent CDCl3