Spektraris NMR
6-Nitrocoumarin
Common Name: 6-Nitrocoumarin
Synonyms: 6-Nitrocoumarin
CAS Registry Number:
InChI: InChI=1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H
InChIKey: InChIKey=RMERXEXZXIVNBF-UHFFFAOYSA-N
Formula: C9H5N1O4
Molecular Weight: 191.14069
Exact Mass: 191.021858
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Mikhova, B., Duddeck, H. Studies in Natural Products Chemistry (1995) 18, 971-1080
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 |
| 3 (CH) | 118.8 |
| 4 (CH) | 143.4 |
| 5 (CH) | 124.4 |
| 6 (C) | 144.6 |
| 7 (CH) | 127 |
| 8 (CH) | 118.4 |
| 9 (C) | 157.9 |
| 10 (C) | 119.5 |
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