BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Phenyl benzoate (C13 H10 O2)

bmse010254 Data

Entry STAR file: bmse010254.str

NMR-STAR interactive viewer

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 198.2173

This is of the category: Misc. Compounds

Concentration: 120 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Phenyl_benzoate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C9B3121.701
C10B5121.701
C2B1125.841
C7A2128.541
C8A6128.541
C5B2129.451
C6B6129.451
C11A1129.571
C3A3130.131
C4A5130.131
C1A4133.531
C12B4150.961
C13A165.111
H22A28.211
H23A68.211

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C9B3122.611
C10B5122.611
C2B1126.511
C7A2129.471
C8A6129.471
C5B2130.151
C6B6130.151
C11A1130.421
C3A3130.601
C4A5130.601
C1A4134.391
C12B4151.991
C13A165.321

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C9B3121.851
C10B5121.851
C2B1125.921
C7A2128.881
C8A6128.881
C5B2129.501
C6B6129.501
C11A1128.941
C3A3129.721
C4A5129.721
C1A4133.931
C12B4150.621
C13A164.511