Spektraris NMR
Annulatophenone
Common Name: Annulatophenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H12O6/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6,15-18H,1H3
InChIKey: InChIKey=SFMNMSZFHGJDAG-UHFFFAOYSA-N
Formula: C14H12O6
Molecular Weight: 276.242021
Exact Mass: 276.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kitanov, G.M., Nedialkov, P.T. Phytochemistry (2001) 57, 1237-43
Species:
Notes: Family : Aromatics, Type : Benzophenones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 106.96 |
| 2 (C) | 163.76 |
| 3 (CH) | 95.12 |
| 4 (C) | 167.37 |
| 5 (CH) | 95.12 |
| 6 (C) | 163.76 |
| 1' (C) | 144.88 |
| 2' (CH) | 108.17 |
| 3' (C) | 159.56 |
| 4' (CH) | 106.96 |
| 5' (C) | 159.56 |
| 6' (CH) | 108.17 |
| 7' (C) | 200.11 |
| 4a (CH3) | 56.49 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.