L-Tartaric Acid (C4 H6 O6)

bmst000196 Theoretical Data

Entry STAR file: bmst000196.str
Generated Data for: L-Tartaric acid
BMRB Entry DOI: doi:10.13018/BMST000196
PDB file: bmst000196

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Natural Isotopic formula weight: 150.0868400000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C179.217
2C279.217
3C3192.281
4C4192.281
5H115.551
6H125.551
7H134.397
8H144.397
9H157.144
10H167.144

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773