Spektraris NMR
4-methylumbelliferone
Common Name: 4-methylumbelliferone
Synonyms: 4-methylumbelliferone
CAS Registry Number:
InChI: InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
InChIKey: InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N
Formula: C10H8O3
Molecular Weight: 176.1691
Exact Mass: 176.047344
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sojka, S.A. J Org Chem (1975) 40, 1175-8
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) | 158.6 |
| 3 (CH) | 108.4 |
| 4 (C) | 152.9 |
| 5 (CH) | 124.3 |
| 6 (CH) | 111.1 |
| 7 (C) | 159.3 |
| 8 (CH) | 100.4 |
| 9 (C) | 151.3 |
| 10 (C) | 110.1 |
| 4a (CH3) | 16.4 |
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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.