| SpectraBase Spectrum ID |
7ZNF7jo78NA |
| Name |
(1R,2S,5S,6R,8R,9R)-9-Hydroxymethyl-8-methoxymethoxy-4,5-dimethylbicyclo[3.3.1]nonan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-9-6-11(16)13-10(7-15)14(9,2)5-4-12(13)18-8-17-3/h9-13,15-16H,4-8H2,1-3H3/t9?,10-,11+,12-,13-,14+/m1/s1 |
| InChIKey |
NRMUCEFQRCKKSI-KDHUGJMZSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
[C@]12([C@@]([C@@]([H])([C@@](CC2)(OCOC)[H])[C@](CC1C)(O)[H])(CO)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939339 |
![(1R,2S,5S,6R,8R,9R)-9-Hydroxymethyl-8-methoxymethoxy-4,5-dimethylbicyclo[3.3.1]nonan-2-ol](/api/spectrum/7ZNF7jo78NA/structure.png?h=300&w=458 "(1R,2S,5S,6R,8R,9R)-9-Hydroxymethyl-8-methoxymethoxy-4,5-dimethylbicyclo[3.3.1]nonan-2-ol")
