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Betaine monohydrate

View entire compound with spectra: 2 NMR, 4 FTIR, and 2 Raman

Betaine monohydrate
SpectraBase Compound ID XAdYGCfluL
InChI InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
InChIKey NJZRLXNBGZBREL-UHFFFAOYSA-N
Mol Weight 135.16 g/mol
Molecular Formula C5H13NO3
Exact Mass 135.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CaLfjuhZW4
Name BETAINE, HYDRATE
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H11NO2 H2O
InChI InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2
InChIKey NJZRLXNBGZBREL-UHFFFAOYSA-N
Melting Point 305C (dec.)
Molecular Weight 135.16
Solvent Water; Reference=Dioxane Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms AMMONIUM HYDROXIDE, /CARBOXYMETHYL/TRIMETHYL-, INNER SALT, HYDRATE AMMONIUM HYDROXIDE, /CARBOXYMETHYL/TRIMETHYL-, HYDRATE