Spektraris NMR
7-Methylcoumarin
Common Name: 7-Methylcoumarin
Synonyms: 7-Methylcoumarin
CAS Registry Number:
InChI: InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3
InChIKey: InChIKey=DLHXRDUXNVEIEY-UHFFFAOYSA-N
Formula: C10H8O2
Molecular Weight: 160.169695
Exact Mass: 160.05243
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) | 160.8 |
| 3 (CH) | 115.3 |
| 4 (CH) | 143.1 |
| 5 (CH) | 127.4 |
| 6 (CH) | 125.4 |
| 7 (C) | 142.9 |
| 8 (CH) | 116.8 |
| 9 (C) | 154 |
| 10 (C) | 116.3 |
| 7a (CH3) | 21.4 |
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