Spektraris NMR
(+)-Homononactic acid
Common Name: (+)-Homononactic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+,10-/m0/s1
InChIKey: InChIKey=HTCUURQJNZBKIA-JLIMGVALSA-N
Formula: C11H20O4
Molecular Weight: 216.27453
Exact Mass: 216.136159
NMR Solvent:
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) | 178 |
| 2 (CH) | 45.3 |
| 3 (CH) | 81 |
| 4 (CH2) | 29 |
| 5 (CH2) | 30.7 |
| 6 (CH) | 77.3 |
| 7 (CH2) | 40.8 |
| 8 (CH) | 70.4 |
| 9 (CH2) | 29.9 |
| 10 (CH3) | 10 |
| 2a (CH3) | 13.6 |
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