Spektraris NMR
3-(1H-indol-3-yl)-2H-1,4-benzoxazin-2-one
Common Name: 3-(1H-indol-3-yl)-2H-1,4-benzoxazin-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H10N2O2/c19-16-15(18-13-7-3-4-8-14(13)20-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H
InChIKey: InChIKey=JAURZMWTUPUGQM-UHFFFAOYSA-N
Formula: C16H9N2O2
Molecular Weight: 261.255537
Exact Mass: 261.066403
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mason, J.J., Bergman, J., Janosik, T. J Nat Prod (2008) 71, 1447-50
Species:
Notes: Family : Alkaloids, Type : Benzooxazines; 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) | 153 |
| 3 (C) | 149 |
| 5 (CH) | 128.9 |
| 6 (CH) | 126.1 |
| 7 (CH) | 129.6 |
| 8 (CH) | 116.7 |
| 9 (C) | 146.2 |
| 10 (C) | 133.2 |
| 2' (CH) | 134.6 |
| 3' (C) | 112.4 |
| 4' (CH) | 124.1 |
| 5' (CH) | 122.5 |
| 6' (CH) | 124.2 |
| 7' (CH) | 112.8 |
| 8' (C) | 137.9 |
| 9' (C) | 127.4 |
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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.