Common Name: 2-R-(1'-Hydroxy-1'-methyl-ethyl)-1-R-cyclohexanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C9H18O2/c1-9(2,11)7-5-3-4-6-8(7)10/h7-8,10-11H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey: InChIKey=BLFZFLJLOQUSIO-JGVFFNPUSA-N
Formula: C9H18O2
Molecular Weight: 158.238366
Exact Mass: 158.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gimenez-Arnau, E., Haberkom, L., Grossi, L., Lepoittevin, J.P. Tetrahedron (2008) 64, 5680-91
Species:
Notes: Family : Aliphatics, Type : Cycloalkanes; 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)
Position | PPM |
---|---|
1 (CH) | 73.3 |
2 (CH) | 53.7 |
3 (CH2) | 24.8 |
4 (CH2) | 27.6 |
5 (CH2) | 25.9 |
6 (CH2) | 35.8 |
2a (C) | 74.2 |
2b (CH3) | 23.7 |
2c (CH3) | 29.97 |