Spektraris NMR
(-)-Nonactic acid
Common Name: (-)-Nonactic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C10H18O4/c1-6(11)5-8-3-4-9(14-8)7(2)10(12)13/h6-9,11H,3-5H2,1-2H3,(H,12,13)/t6-,7+,8-,9+/m0/s1
InChIKey: InChIKey=IVOODSRSVJPWLY-UYXSQOIJSA-N
Formula: C10H18O4
Molecular Weight: 202.247912
Exact Mass: 202.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez-Bercedo, P., Murga, J., Carda, M., Marco, J.A. J Org Chem (2006) 71, 5766-9
Species:
Notes: Family : Miscellanea, Type : Furanoids; 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) | 177.9 |
| 2 (CH) | 45.3 |
| 3 (CH) | 81 |
| 4 (CH2) | 29 |
| 5 (CH2) | 30.5 |
| 6 (CH) | 77.2 |
| 7 (CH2) | 42.8 |
| 8 (CH) | 65.2 |
| 9 (CH3) | 23.1 |
| 2a (CH3) | 13.6 |
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