Spektraris NMR
5,8-Dimethyl-2H-1-benzopyran-2-one
Common Name: 5,8-Dimethyl-2H-1-benzopyran-2-one
Synonyms: 5,8-Dimethyl-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C11H10O2/c1-7-3-4-8(2)11-9(7)5-6-10(12)13-11/h3-6H,1-2H3
InChIKey: InChIKey=XUKPCDIFIUREIQ-UHFFFAOYSA-N
Formula: C11H10O2
Molecular Weight: 174.196312
Exact Mass: 174.06808
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cussans, N.J., Huckerby, T.N. Tetrahedron (1975) 31, 2591-4
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) | 114.5 |
| 4 (CH) | 139.8 |
| 5 (C) | 132.8 |
| 6 (CH) | 124.4 |
| 7 (CH) | 132 |
| 8 (C) | 122.8 |
| 9 (C) | 152 |
| 10 (C) | 116.5 |
| 5a (CH3) | 17 |
| 8a (CH3) | 14.3 |
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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.