Spektraris NMR
4-Methylcoumarin
Common Name: 4-Methylcoumarin
Synonyms: 4-Methylcoumarin
CAS Registry Number:
InChI: InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey: InChIKey=PSGQCCSGKGJLRL-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) | 159.4 |
| 3 (CH) | 114 |
| 4 (C) | 151.4 |
| 5 (CH) | 123.9 |
| 6 (CH) | 123.4 |
| 7 (CH) | 130.8 |
| 8 (CH) | 115.8 |
| 9 (C) | 152.6 |
| 10 (C) | 119 |
| 4a (CH3) | 17.5 |
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