Spektraris NMR
7-Prenyloxycoumarin
Common Name: 7-Prenyloxycoumarin
Synonyms: 7-Prenyloxycoumarin
CAS Registry Number:
InChI: InChI=1S/C14H14O3/c1-10(2)7-8-16-12-5-3-11-4-6-14(15)17-13(11)9-12/h3-7,9H,8H2,1-2H3
InChIKey: InChIKey=SMHJTSOVVRGDEO-UHFFFAOYSA-N
Formula: C14H14O3
Molecular Weight: 230.259688
Exact Mass: 230.094294
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.J., Floss, H.G., Steck, W. J Org Chem (1977) 42, 1337-40
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) | 160.1 |
| 3 (CH) | 111.9 |
| 4 (CH) | 142.7 |
| 5 (CH) | 128.1 |
| 6 (CH) | 112.1 |
| 7 (C) | 161.2 |
| 8 (CH) | 100.6 |
| 9 (C) | 154.9 |
| 10 (C) | 111.6 |
| 7a (CH2) | 64.6 |
| 7b (CH) | 118.1 |
| 7c (C) | 137.9 |
| 7d (CH3) | 25 |
| 7e (CH3) | 17.5 |
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