Spektraris NMR
3-Methylcoumarin
Common Name: 3-Methylcoumarin
Synonyms: 3-Methylcoumarin
CAS Registry Number:
InChI: InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKey: InChIKey=VIIIJFZJKFXOGG-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) | 161.6 |
| 3 (C) | 125.5 |
| 4 (CH) | 138.8 |
| 5 (CH) | 126.7 |
| 6 (CH) | 123.9 |
| 7 (CH) | 130.1 |
| 8 (CH) | 116 |
| 9 (C) | 153 |
| 10 (C) | 119.3 |
| 3a (CH3) | 16.7 |
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