Spektraris NMR
5-Methoxy-8-[(3-methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one
![5-Methoxy-8-[(3-methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one](/nmr/static/nmr/svg/8778.svg)
Common Name: 5-Methoxy-8-[(3-methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one
Synonyms: 5-Methoxy-8-[(3-methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-10(2)8-9-18-13-6-5-12(17-3)11-4-7-14(16)19-15(11)13/h4-8H,9H2,1-3H3
InChIKey: InChIKey=LMTUKVUCEZAYHD-UHFFFAOYSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harayama, T., Katsuno, K., Nishita, Y., Fujii, M. Chem Pharm Bull (1994) 42, 550-1552
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) | 160.2 |
| 3 (CH) | 114.7 |
| 4 (CH) | 138.7 |
| 5 (C) | 149.8 |
| 6 (CH) | 104.1 |
| 7 (CH) | 117.5 |
| 8 (C) | 140.2 |
| 9 (C) | 145.3 |
| 10 (C) | 110.4 |
| 5a (CH3) | 55.9 |
| 8a (CH2) | 67.1 |
| 8b (CH) | 119.7 |
| 8c (C) | 138.2 |
| 8d (CH3) | 25.7 |
| 8e (CH3) | 18.1 |
