Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H12O4/c18-16-9-7-13-6-8-14(11-15(13)21-16)20-17(19)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKey: InChIKey=XIWPNZMTQGHSQM-UHFFFAOYSA-N
Formula: C17H12O4
Molecular Weight: 280.275419
Exact Mass: 280.073559
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chatterjee, A., Sarkar, S., Shoolery, J.N. Phytochemistry (1980) 19, 2219-20
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) | 116.7 |
| 4 (CH) | 142.8 |
| 5 (CH) | 128.6 |
| 6 (CH) | 118.3 |
| 7 (C) | 154.7 |
| 8 (CH) | 110.3 |
| 9 (C) | 153.3 |
| 10 (C) | 116.1 |
| 7a (C) | 169.3 |
| 7b (CH2) | 41.3 |
| 7c (C) | 132.8 |
| 7d (CH) | 128.9 |
| 7e (CH) | 129.5 |
| 7f (CH) | 127.6 |
| 7g (CH) | 129.5 |
| 7h (CH) | 128.9 |
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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.