Spektraris NMR
Montroumarin
Common Name: Montroumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H12O4/c16-11-6-10-7-13(9-4-2-1-3-5-9)19-15(18)14(10)12(17)8-11/h1-6,8,13,16-17H,7H2/t13-/m1/s1
InChIKey: InChIKey=OXRQIQYOXIHFBQ-CYBMUJFWSA-N
Formula: C15H12O4
Molecular Weight: 256.253947
Exact Mass: 256.073559
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ito, C., Mishina, Y., Litaudon, M., Cosson, J.P., Furukawa, H. Phytochemistry (2000) 53, 1043-6
Species:
Notes: Family : Isochromans, Type : Isocoumarins; 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 |
|---|---|
| 1 (C) | 170.52 |
| 3 (CH) | 80.97 |
| 4 (CH2) | 35.52 |
| 5 (CH) | 107.58 |
| 6 (C) | 165.34 |
| 7 (CH) | 102.08 |
| 8 (C) | 165.41 |
| 9 (C) | 101.86 |
| 10 (C) | 143.09 |
| 1' (C) | 139.9 |
| 2' (CH) | 127.18 |
| 3' (CH) | 129.44 |
| 4' (CH) | 129.38 |
| 5' (CH) | 129.44 |
| 6' (CH) | 127.18 |
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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.