Spektraris NMR
Esculetin
Common Name: Esculetin
Synonyms: Esculetin
CAS Registry Number:
InChI: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey: InChIKey=ILEDWLMCKZNDJK-UHFFFAOYSA-N
Formula: C9H6O4
Molecular Weight: 178.141887
Exact Mass: 178.026609
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Chang, C.J., Floss, H.G., Steck, W. J Org Chem (1977) 42, 1337-40
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) | 161.4 |
| 3 (CH) | 112 |
| 4 (CH) | 144.5 |
| 5 (CH) | 112.9 |
| 6 (C) | 143.2 |
| 7 (C) | 150.6 |
| 8 (CH) | 103.2 |
| 9 (C) | 149.1 |
| 10 (C) | 111.4 |
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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.