Spektraris NMR
4-Hydroxy-3-nitrocoumarin
Common Name: 4-Hydroxy-3-nitrocoumarin
Synonyms: 4-Hydroxy-3-nitrocoumarin
CAS Registry Number:
InChI: InChI=1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
InChIKey: InChIKey=NZQAQAUWFHMVEM-UHFFFAOYSA-N
Formula: C9H5N1O5
Molecular Weight: 207.140095
Exact Mass: 207.016772
NMR Solvent: DMSO-d6
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) | 156.1 |
| 3 (C) | 121.2 |
| 4 (C) | 163.9 |
| 5 (CH) | 124.3 |
| 6 (CH) | 125.6 |
| 7 (CH) | 134.2 |
| 8 (CH) | 116.6 |
| 9 (C) | 152.4 |
| 10 (C) | 117.8 |
Copyright © 2025
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.