Spektraris NMR
91555-68-9
Common Name: 91555-68-9
Synonyms: 91555-68-9
CAS Registry Number:
InChI: InChI=1S/C12H16O4/c1-6(2)11(14)10-9(16-4)5-8(13)7(3)12(10)15/h5-6,13,15H,1-4H3
InChIKey: InChIKey=LODKADKHNLCWDK-UHFFFAOYSA-N
Formula: C12H16O4
Molecular Weight: 224.253503
Exact Mass: 224.104859
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shiu, W.K., Gibbons, S. Phytochemistry (2006) 67, 2568-72
Species:
Notes: Family : Aromatics, Type : Phloroglucinols, Group : Acylphloroglucinols; 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) | 166.1 |
| 2 (C) | 105 |
| 3 (C) | 162.1 |
| 4 (CH) | 91.2 |
| 5 (C) | 162.2 |
| 6 (C) | 105 |
| 1' (C) | 211.4 |
| 2' (CH) | 40.5 |
| 3' (CH3) | 19.8 |
| 4' (CH3) | 19.8 |
| 3a (CH3) | 55.9 |
| 6a (CH3) | 7.41 |
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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.