Spektraris NMR
Valeric acid
Common Name: Valeric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
InChIKey: InChIKey=FEBNTWHYQKGEIQ-SUKRRCERSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dharmaratne, H.R., Nanayakkara, N.P., Khan, I.A. Planta Med (2002) 68, 661-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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 (CH) | 47.8 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 37.8 |
| 4 (C) | 131.6 |
| 5 (C) | 133.5 |
| 6 (CH) | 35 |
| 7 (CH) | 146.6 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 29.2 |
| 10 (CH) | 33.4 |
| 11 (C) | 125.7 |
| 12 (CH3) | 12.4 |
| 13 (C) | 174.8 |
| 14 (CH3) | 12.3 |
| 15 (CH3) | 13.9 |
