Spektraris NMR
4-Methoxycoumarin
Common Name: 4-Methoxycoumarin
Synonyms: 4-Methoxycoumarin
CAS Registry Number:
InChI: InChI=1S/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey: InChIKey=MLCMXDYMSAZNPC-UHFFFAOYSA-N
Formula: C10H8O3
Molecular Weight: 176.1691
Exact Mass: 176.047344
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chan, K.K., Giannini, D.D., Cain, A.H., Roberts, J.D., Porter, W., Trager, W.F. Tetrahedron (1977) 33, 899-906
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) | 162.5 |
| 3 (CH) | 90 |
| 4 (C) | 166.2 |
| 5 (CH) | 122.8 |
| 6 (CH) | 123.7 |
| 7 (CH) | 132.2 |
| 8 (CH) | 116.5 |
| 9 (C) | 153.1 |
| 10 (C) | 115.5 |
| 4a (CH3) | 56.8 |
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