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3-[N-butylamidino)thio]propionic acid

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3-[N-butylamidino)thio]propionic acid
SpectraBase Compound ID B02PHj9kYJC
InChI InChI=1S/C8H16N2O2S/c1-2-3-5-10-8(9)13-6-4-7(11)12/h2-6H2,1H3,(H2,9,10)(H,11,12)
InChIKey HHLQMOYXELOPPC-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C8H16N2O2S
Exact Mass 204.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85bx6Nip103
Name 3-[(N-BUTYLAMIDINO)THIO]PROPIONIC ACID
Source of Sample W. Hanefeld, University of Hamburg, Hamburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16N2O2S
InChI InChI=1S/C8H16N2O2S/c1-2-3-5-10-8(9)13-6-4-7(11)12/h2-6H2,1H3,(H2,9,10)(H,11,12)
InChIKey HHLQMOYXELOPPC-UHFFFAOYSA-N
Melting Point 121-123C
Molecular Weight 204.29
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PROPIONIC ACID, 3-//N-BUTYLAMIDINO/THIO/-,