Spektraris NMR
Acetone thymol-8,9-diyl ketal
Common Name: Acetone thymol-8,9-diyl ketal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H18O3/c1-9-5-6-10(11(14)7-9)13(4)8-15-12(2,3)16-13/h5-7,14H,8H2,1-4H3
InChIKey: InChIKey=YRQZONGPMRIGCN-UHFFFAOYSA-N
Formula: C13H18O3
Molecular Weight: 222.280715
Exact Mass: 222.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, H.X., Li, Y., Pan, J., Gao, K. Helv Chim Acta (2006) 89, 558-66
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) | 138.8 |
| 2 (CH) | 118 |
| 3 (C) | 154.5 |
| 4 (C) | 125.2 |
| 5 (CH) | 125.2 |
| 6 (CH) | 120.5 |
| 7 (CH3) | 20.9 |
| 8 (C) | 84.6 |
| 9 (CH2) | 75.2 |
| 10 (CH3) | 28.8 |
| 1' (C) | 110.6 |
| 2' (CH3) | 25.4 |
| 3' (CH3) | 27.4 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.