Spektraris NMR
4,7-dimethylcoumarin
Common Name: 4,7-dimethylcoumarin
Synonyms: 4,7-dimethylcoumarin
CAS Registry Number:
InChI: InChI=1S/C11H10O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKey: InChIKey=MUMAHEBVYSIROC-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) | 161.4 |
| 3 (CH) | 114.2 |
| 4 (C) | 152.7 |
| 5 (CH) | 124.5 |
| 6 (CH) | 125.6 |
| 7 (C) | 143.2 |
| 8 (CH) | 117.4 |
| 9 (C) | 153.9 |
| 10 (C) | 117.8 |
| 4a (CH3) | 18.6 |
| 7a (CH3) | 21.6 |
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