Spektraris NMR
40384-35-8
Common Name: 40384-35-8
Synonyms: 40384-35-8
CAS Registry Number:
InChI: InChI=1S/C11H10O2/c1-7-5-8(2)11-9(6-7)3-4-10(12)13-11/h3-6H,1-2H3
InChIKey: InChIKey=HUISRMBUFSAHCO-UHFFFAOYSA-N
Formula: C11H10O2
Molecular Weight: 174.196312
Exact Mass: 174.06808
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cussans, N.J., Huckerby, T.N. Tetrahedron (1975) 31, 2591-4
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) | 159.8 |
| 3 (CH) | 115 |
| 4 (CH) | 142.8 |
| 5 (CH) | 124.6 |
| 6 (C) | 132.6 |
| 7 (CH) | 133.3 |
| 8 (C) | 124.6 |
| 9 (C) | 149.6 |
| 10 (C) | 117.4 |
| 6a (CH3) | 19.6 |
| 8a (CH3) | 14.1 |
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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.