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3-[bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid, hydrate

View entire compound with spectra: 2 NMR

3-[bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid, hydrate
SpectraBase Compound ID 3glXRrC4MAh
InChI InChI=1S/C7H17NO6S.H2O/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14;/h7,9-11H,1-6H2,(H,12,13,14);1H2
InChIKey VRKICJAILQANMW-UHFFFAOYSA-N
Mol Weight 261.29 g/mol
Molecular Formula C7H19NO7S
Exact Mass 261.088223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jVnLP9K5IO
Name 3-[BIS(2-HYDROXYETHYL)AMINO]-2-HYDROXY-1-PROPANESULFONICACID, HYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 68399-80-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H17NO6S H2O
InChI InChI=1S/C7H17NO6S.H2O/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14;/h7,9-11H,1-6H2,(H,12,13,14);1H2
InChIKey VRKICJAILQANMW-UHFFFAOYSA-N
Molecular Weight 261.30
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20