| SpectraBase Spectrum ID |
7jqwO4NlfL |
| Name |
(2R*,4ar*,5S*,8as*)-4A-(Prop-2'-enyl)-5-(1,3,6-trioxaheptyl)-1,2,4A,5,6,7,8A-octahydro-2-naphthol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-3-8-17-9-7-15(18)12-14(17)5-4-6-16(17)21-13-20-11-10-19-2/h3,7,9,14-16,18H,1,4-6,8,10-13H2,2H3/t14-,15+,16-,17-/m0/s1 |
| InChIKey |
ADQWRMRMCZBROO-YVSFHVDLSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
[C@]12(C=C[C@@](O)(C[C@@]2(CCC[C@@]1(OCOCCOC)[H])[H])[H])CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88163 |
