Spektraris NMR
1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)ethanone
Common Name: 1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)ethanone
Synonyms: 1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)ethanone
CAS Registry Number:
InChI: InChI=1S/C13H16O3/c1-8(14)9-4-5-11-10(12(9)15)6-7-13(2,3)16-11/h4-5,15H,6-7H2,1-3H3
InChIKey: InChIKey=KKHWUQCBMJLSMW-UHFFFAOYSA-N
Formula: C13H16O3
Molecular Weight: 220.264834
Exact Mass: 220.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krohn K., Steingrover K., Srinivasa Rao M. Phytochemistry (2002) 61, 931-6
Species:
Notes: Family : Chromans, Type : Chromones; 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) | 76.1 |
| 3 (CH2) | 32 |
| 4 (CH2) | 16.7 |
| 5 (C) | 161.1 |
| 6 (C) | 113 |
| 7 (CH) | 123 |
| 8 (CH) | 109.5 |
| 9 (C) | 163.1 |
| 10 (C) | 109.5 |
| 2a (CH3) | 27.1 |
| 2b (CH3) | 27.1 |
| 6a (C) | 203 |
| 6c (CH3) | 26.5 |
