Spektraris NMR
5-hydroxy-4,7-dimethyl-2H-chromen-2-one
Common Name: 5-hydroxy-4,7-dimethyl-2H-chromen-2-one
Synonyms: 5-hydroxy-4,7-dimethyl-2H-chromen-2-one
CAS Registry Number:
InChI: InChI=1S/C11H10O3/c1-6-3-8(12)11-7(2)5-10(13)14-9(11)4-6/h3-5,12H,1-2H3
InChIKey: InChIKey=JJHLYYXMYNBADE-UHFFFAOYSA-N
Formula: C11H10O3
Molecular Weight: 190.195717
Exact Mass: 190.062994
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Konigs, P., Rinker, B., Maus, L., Nieger, M., Rheinheimer, J., Waldvogel, S.R. J Nat Prod (2010) 73, 2064-6
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 |
|---|---|
| 2 (C) | 159.7 |
| 3 (CH) | 111.9 |
| 4 (C) | 156.4 |
| 5 (C) | 154.7 |
| 6 (CH) | 111.8 |
| 7 (C) | 142.6 |
| 8 (CH) | 106.4 |
| 9 (C) | 154.4 |
| 10 (C) | 107.6 |
| 4a (CH3) | 23.3 |
| 7a (CH3) | 21 |
