Spektraris NMR
8-Ethoxy-9-Isobutyryloxythymol
Common Name: 8-Ethoxy-9-Isobutyryloxythymol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O4/c1-6-20-16(5,10-19-15(18)11(2)3)13-8-7-12(4)9-14(13)17/h7-9,11,17H,6,10H2,1-5H3
InChIKey: InChIKey=UZCZRZLPBUFIME-UHFFFAOYSA-N
Formula: C16H24O4
Molecular Weight: 280.359972
Exact Mass: 280.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Bermejo Barrera, J., Estevez Rosas, F., Yanes Hernandez, A.C., Espineira, J., Joseph Nathan, P. Phytochemistry (1986) 25, 2889-91
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 139.6 |
| 2 (CH) | 117.4 |
| 3 (C) | 155.8 |
| 4 (C) | 126.5 |
| 5 (CH) | 127 |
| 6 (CH) | 120.3 |
| 7 (CH3) | 20.9 |
| 8 (C) | 77.6 |
| 9 (CH2) | 66.8 |
| 10 (CH3) | 20.9 |
| 8a (CH2) | 59.7 |
| 8b (CH3) | 15.3 |
| 9a (C) | 176.3 |
| 9b (CH) | 33.9 |
| 9c (CH3) | 18.7 |
| 9ba (CH3) | 18.7 |
