Spektraris NMR
coumarin
Common Name: coumarin
Synonyms: coumarin
CAS Registry Number:
InChI: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey: InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Formula: C9H6O2
Molecular Weight: 146.143077
Exact Mass: 146.036779
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mikhova, B., Duddeck, H. Studies in Natural Products Chemistry (1995) 18, 971-1080
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) | 160.4 |
| 3 (CH) | 116.4 |
| 4 (CH) | 143.6 |
| 5 (CH) | 128.1 |
| 6 (CH) | 124.4 |
| 7 (CH) | 131.8 |
| 8 (CH) | 116.4 |
| 9 (C) | 153.9 |
| 10 (C) | 118.8 |
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