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DL-3-phenylserine, hydrated, sodium salt

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DL-3-phenylserine, hydrated, sodium salt
SpectraBase Compound ID JC5FyNJyDxv
InChI InChI=1S/C9H11NO3.Na.H2O/c10-7(9(12)13)8(11)6-4-2-1-3-5-6;;/h1-5,7-8,11H,10H2,(H,12,13);;1H2/q;+1;/p-1
InChIKey AAAJRRIWJSQUHL-UHFFFAOYSA-M
Mol Weight 221.188 g/mol
Molecular Formula C9H12NNaO4
Exact Mass 221.066402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqJCHN8Dq1I
Name DL-3-phenylserine, hydrated, sodium salt
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3 xH2O
InChI InChI=1S/C9H11NO3.Na.H2O/c10-7(9(12)13)8(11)6-4-2-1-3-5-6;;/h1-5,7-8,11H,10H2,(H,12,13);;1H2/q;+1;/p-1
InChIKey AAAJRRIWJSQUHL-UHFFFAOYSA-M
Melting Point 186C (dec.)
Molecular Weight 181.19 xH2O
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms Serine, 3-phenyl-, hydrated, DL-, sodium salt