BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Phenol (C6 H6 O)

bmst000281 Theoretical Data

Entry STAR file: bmst000281.str
Generated Data for: Phenol_3446

Displaying Phenol_3446_opt.pdb

Natural Isotopic formula weight: 94.1112400000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C2158.875
2C3116.248
3C4113.863
4C5130.904
5C6129.901
6C7120.054
7H84.421
8H98.127
9H107.449
10H118.524
11H128.398
12H138.114