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571342

Sigma-Aldrich

2-Ketobutyric acid-4-13C sodium salt hydrate

99 atom % 13C, 97% (CP)

Synonym(s):

α-Keto-butyric acid-4-13C sodium, α-Ketobutyric acid-4-13C sodium salt, 2-Oxobutanoic acid-4-13C sodium salt, Sodium α-ketobutyrate-4-13C

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About This Item

Linear Formula:
13CH3CH2COCO2Na · xH2O
CAS Number:
Molecular Weight:
125.06 (anhydrous basis)
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

99 atom % 13C

Quality Level

Assay

97% (CP)

form

solid

technique(s)

bio NMR: suitable

mp

210 °C (dec.) (lit.)

mass shift

M+1

SMILES string

O.[Na+].[13CH3]CC(=O)C([O-])=O

InChI

1S/C4H6O3.Na.H2O/c1-2-3(5)4(6)7;;/h2H2,1H3,(H,6,7);;1H2/q;+1;/p-1/i1+1;;

InChI key

PVLJVKQSCAHPPR-GOCMCNPZSA-M

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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Articles

Presenting an article about the selective protonation of methyl groups in highly deuterated proteins. In which the structural NMR studies of small proteins, a maximum number of proton chemical shifts are usually assigned and NOEs connecting large numbers of sites are subsequently quantified in terms of distance restraints that are then used to obtain an ensemble of structures.

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