Spektraris NMR
6,7-Dimethyl-2H-1-benzopyran-2-one
Common Name: 6,7-Dimethyl-2H-1-benzopyran-2-one
Synonyms: 6,7-Dimethyl-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C11H10O2/c1-7-5-9-3-4-11(12)13-10(9)6-8(7)2/h3-6H,1-2H3
InChIKey: InChIKey=UBLOOKRIGSUIOU-UHFFFAOYSA-N
Formula: C11H10O2
Molecular Weight: 174.196312
Exact Mass: 174.06808
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Osborne, A.G. Tetrahedron (1981) 37, 2021-5
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) | 161.6 |
| 3 (CH) | 115.7 |
| 4 (CH) | 143.6 |
| 5 (CH) | 128.2 |
| 6 (C) | 133.4 |
| 7 (C) | 142.2 |
| 8 (CH) | 117.6 |
| 9 (C) | 152.8 |
| 10 (C) | 116.9 |
| 6a (CH3) | 19.2 |
| 7a (CH3) | 20.3 |
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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.