| SpectraBase Spectrum ID |
KfYYE6C00U9 |
| Name |
Naphthalene, 6-(dimethoxymethyl)-1,2,3,4,4A,5,8,8A-octahydro-5-(methoxymethylene)-2,4A-dimethyl-1-methylene-, (2.alpha.,4A.alpha.,5Z,8A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| InChI |
InChI=1S/C18H28O3/c1-12-9-10-18(3)15(13(12)2)8-7-14(16(18)11-19-4)17(20-5)21-6/h7,11-12,15,17H,2,8-10H2,1,3-6H3/b16-11+/t12-,15-,18-/m1/s1 |
| InChIKey |
ALICDXKOLPYITI-KNJLHGIRSA-N |
| SMILES |
[C@]12(\C(C(=CC[C@@]2(C(=C)[C@@](CC1)(C)[H])[H])C(OC)OC)=C\OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872443 |
