Spektraris NMR
3,4,5-trimethyl-5-pentylfuran-2(5H)-one
Common Name: 3,4,5-trimethyl-5-pentylfuran-2(5H)-one
Synonyms: 3,4,5-trimethyl-5-pentylfuran-2(5H)-one
CAS Registry Number:
InChI: InChI=1S/C12H20O2/c1-5-6-7-8-12(4)10(3)9(2)11(13)14-12/h5-8H2,1-4H3/t12-/m0/s1
InChIKey: InChIKey=ZQHNFAIHBGTIMX-LBPRGKRZSA-N
Formula: C12H20O2
Molecular Weight: 196.286456
Exact Mass: 196.14633
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Saritas, Y., Sonwa, M.M., Iznaguen, H., Konig, W.A., Muhle, H., Mues, R. Phytochemistry (2001) 57, 443-57
Species:
Notes: Family : Miscellanea, Type : Butanolides; 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) | 172.7 |
| 2 (C) | 123.4 |
| 3 (C) | 160.9 |
| 4 (C) | 86.7 |
| 5 (CH2) | 37.1 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 32 |
| 8 (CH2) | 22.7 |
| 9 (CH3) | 14.2 |
| 10 (CH3) | 8.5 |
| 11 (CH3) | 10.3 |
| 12 (CH3) | 23.7 |
