| SpectraBase Spectrum ID |
8o7wX20VxfC |
| Name |
1,3-Dioxane, 2-[1,4,4A,5,6,7,8,8A-octahydro-1-(methoxymethylene)-6,8A-dimethyl-5-methylene-2-naphthalenyl]-, (1Z,4A.alpha.,6.beta.,8A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-13-8-9-19(3)16(14(13)2)7-6-15(17(19)12-20-4)18-21-10-5-11-22-18/h6,12-13,16,18H,2,5,7-11H2,1,3-4H3/b17-12+/t13-,16-,19-/m0/s1 |
| InChIKey |
KQIKSYANQXMPPF-FJOBJLBQSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
[C@]12(\C(C(C3OCCCO3)=CC[C@]1(C(=C)[C@](CC2)(C)[H])[H])=C\OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829911 |
![1,3-Dioxane, 2-[1,4,4a,5,6,7,8,8a-octahydro-1-(methoxymethylene)-6,8a-dimethyl-5-methylene-2-naphthalenyl]-, (1Z,4a.alpha.,6.beta.,8a.beta.)-(.+-.)-](/api/spectrum/8o7wX20VxfC/structure.png?h=300&w=458 "1,3-Dioxane, 2-[1,4,4a,5,6,7,8,8a-octahydro-1-(methoxymethylene)-6,8a-dimethyl-5-methylene-2-naphthalenyl]-, (1Z,4a.alpha.,6.beta.,8a.beta.)-(.+-.)-")
