| SpectraBase Spectrum ID |
8IBkHMpKbi1 |
| Name |
Trans-decalin, 2-methylene-5,5,8A-trimethyl-1-[2,5-di(methoxymethoxy)benzyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.277009700 u |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-18-8-11-23-24(2,3)12-7-13-25(23,4)21(18)15-19-14-20(28-16-26-5)9-10-22(19)29-17-27-6/h9-10,14,21,23H,1,7-8,11-13,15-17H2,2-6H3 |
| InChIKey |
XZMPYFMVKQDVHR-UHFFFAOYSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
C12(C)C(C(C)(C)CCC2)CCC(C1Cc1cc(OCOC)ccc1OCOC)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819576 |
![trans-Decalin, 2-methylene-5,5,8a-trimethyl-1-[2,5-di(methoxymethoxy)benzyl]-](/api/spectrum/8IBkHMpKbi1/structure.png?h=300&w=458 "trans-Decalin, 2-methylene-5,5,8a-trimethyl-1-[2,5-di(methoxymethoxy)benzyl]-")
