Spektraris NMR
scopoletin
Common Name: scopoletin
Synonyms: scopoletin
CAS Registry Number:
InChI: InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey: InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
Formula: C10H8O4
Molecular Weight: 192.168505
Exact Mass: 192.042259
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sibanda, S., Ndengu, B., Multari, G., Pompi, V., Galeffi, C. Phytochemistry (1989) 28, 1550-2
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) | 160.2 |
| 3 (CH) | 112.5 |
| 4 (CH) | 142.3 |
| 5 (CH) | 107 |
| 6 (C) | 143.2 |
| 7 (C) | 149.2 |
| 8 (CH) | 102.5 |
| 9 (C) | 149.8 |
| 10 (C) | 110.5 |
| 6a (CH3) | 55.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.