Spektraris NMR
4-Hydroxycoumarin
Common Name: 4-Hydroxycoumarin
Synonyms: 4-Hydroxycoumarin
CAS Registry Number:
InChI: InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey: InChIKey=VXIXUWQIVKSKSA-UHFFFAOYSA-N
Formula: C9H6O3
Molecular Weight: 162.142482
Exact Mass: 162.031694
NMR Solvent: CDCl3
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) | 162.9 |
| 3 (CH) | 91.3 |
| 4 (C) | 166 |
| 5 (CH) | 123.3 |
| 6 (CH) | 123.5 |
| 7 (CH) | 132.1 |
| 8 (CH) | 116.1 |
| 9 (C) | 153.7 |
| 10 (C) | 116.1 |
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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.