Spektraris NMR
1823-86-5
Common Name: 1823-86-5
Synonyms: 1823-86-5
CAS Registry Number:
InChI: InChI=1S/C16H15NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,19)
InChIKey: InChIKey=JNLQFMNPXWPCBR-UHFFFAOYSA-N
Formula: C16H15N1O3
Molecular Weight: 269.295844
Exact Mass: 269.105193
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheplogoi, P.K., Mulholland, D.A., Coombes, P.H., Randrianarivelojosia, M. Phytochemistry (2008) 69, 1384-8
Species:
Notes: Family : Alkaloids, Type : Amides; 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 |
|---|---|
| 1 (C) | 134 |
| 2 (CH) | 127.1 |
| 3 (CH) | 128.6 |
| 4 (CH) | 131.7 |
| 5 (CH) | 128.6 |
| 6 (CH) | 127.1 |
| 7 (C) | 167.4 |
| 9 (CH2) | 46.5 |
| 10 (C) | 192.6 |
| 1' (C) | 127.3 |
| 2' (CH) | 130.3 |
| 3' (CH) | 114.2 |
| 4' (C) | 164.4 |
| 5' (CH) | 114.2 |
| 6' (CH) | 130.3 |
| 4'a (CH3) | 55.6 |
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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.