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L-3-sulfoalanine, hydrate

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L-3-sulfoalanine, hydrate
SpectraBase Compound ID HgK18nPazMQ
InChI InChI=1S/C3H7NO5S.H2O/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H2/t2-;/m0./s1
InChIKey PCPIXZZGBZWHJO-DKWTVANSSA-N
Mol Weight 187.166 g/mol
Molecular Formula C3H9NO6S
Exact Mass 187.015058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9UvsllYaAS
Name L-3-SULFOALANINE, MONOHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H7NO5S H2O
InChI InChI=1S/C3H7NO5S.H2O/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H2/t2-;/m0./s1
InChIKey PCPIXZZGBZWHJO-DKWTVANSSA-N
Melting Point 267-269C (dec.)
Molecular Weight 187.17
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ALANINE, 3-SULFO-, L-, HYDRATE CYSTEINESULFONIC ACID, L-, HYDRATE