Spektraris NMR
bmse010091
Common Name: bmse010091
Synonyms: bmse010091
CAS Registry Number:
InChI: InChI=1S/C11H16O5/c1-15-9-4-3-7(5-10(9)16-2)11(14)8(13)6-12/h3-5,8,11-14H,6H2,1-2H3
InChIKey: InChIKey=NHELEQGRSPWRNT-UHFFFAOYSA-N
Formula: C11H16O5
Molecular Weight: 228.242172
Exact Mass: 228.099774
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Mohamed, K.M. Phytochemistry (2001) 58, 615-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 136 |
| 2 (CH) | 111.1 |
| 3 (C) | 148.4 |
| 4 (C) | 148.9 |
| 5 (CH) | 112 |
| 6 (CH) | 119.7 |
| 7 (CH) | 73.5 |
| 8 (CH) | 76.3 |
| 9 (CH2) | 63.1 |
| 3a (CH3) | 56.1 |
| 4a (CH3) | 56.2 |
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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.