Spektraris NMR
3-Hydroxycoumarin
Common Name: 3-Hydroxycoumarin
Synonyms: 3-Hydroxycoumarin
CAS Registry Number:
InChI: InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
InChIKey: InChIKey=MJKVTPMWOKAVMS-UHFFFAOYSA-N
Formula: C9H6O3
Molecular Weight: 162.142482
Exact Mass: 162.031694
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cussans, N.J., Huckerby, T.N. Tetrahedron (1975) 31, 2719-26
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) | 158.5 |
| 3 (C) | 141.8 |
| 4 (CH) | 115 |
| 5 (CH) | 126.3 |
| 6 (CH) | 124.5 |
| 7 (CH) | 127.5 |
| 8 (CH) | 115.6 |
| 9 (C) | 149.2 |
| 10 (C) | 120.7 |
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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.