| SpectraBase Spectrum ID |
Cq8PcsMPCgI |
| Name |
(1R,2R,1'R,2'R,4'S,5'S)-(1',2'-Dimethoxy-4',5'-dimethylcyclohexan-1',2'-diyl)cyclohexane-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-11-9-15(17-3)16(18-4,10-12(11)2)20-14-8-6-5-7-13(14)19-15/h11-14H,5-10H2,1-4H3/t11-,12-,13+,14+,15+,16+/m0/s1 |
| InChIKey |
XRXYYDLYGLWIKH-KPRKPIBOSA-N |
| SMILES |
[C@@]12([C@](O[C@]3([C@](O2)(CCCC3)[H])[H])(C[C@@]([C@](C1)(C)[H])(C)[H])OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880301 |
