Spektraris NMR
4-methoxy-3-(3-methylbut-2-enyl)-2H-chromen-2-one
Common Name: 4-methoxy-3-(3-methylbut-2-enyl)-2H-chromen-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O3/c1-10(2)8-9-12-14(17-3)11-6-4-5-7-13(11)18-15(12)16/h4-8H,9H2,1-3H3
InChIKey: InChIKey=OZPSELDHIUVUJA-UHFFFAOYSA-N
Formula: C15H16O3
Molecular Weight: 244.286305
Exact Mass: 244.109944
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Rivera, A., Rios-Motta, J. Nat. Prod. Commun. (2008) 3, 333-8
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 3-Alkylcoumarins; 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) | 179.3 |
| 3 (C) | 117.3 |
| 4 (C) | 162.5 |
| 5 (CH) | 122.8 |
| 6 (CH) | 122.6 |
| 7 (CH) | 130.1 |
| 8 (CH) | 116 |
| 9 (C) | 166.5 |
| 10 (C) | 137.5 |
| 1' (CH2) | 23.3 |
| 2' (CH) | 121.3 |
| 3' (C) | 132.5 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.7 |
| 4a (CH3) | 61.8 |
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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.