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3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE, HYDRATE

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3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE, HYDRATE
SpectraBase Compound ID JAftT2nV2Rq
InChI InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2
InChIKey XDJUBZFLFDODNF-UHFFFAOYSA-N
Mol Weight 229.23 g/mol
Molecular Formula C10H15NO5
Exact Mass 229.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SDdzFdLvj6
Name 3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE, HYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 555-30-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO4 H2O
InChI InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2
InChIKey XDJUBZFLFDODNF-UHFFFAOYSA-N
Molecular Weight 229.23
Solvent Deuterium oxide/Deuterium chloride; Reference=Dioxane Spectrometer= Varian CFT-20