| SpectraBase Spectrum ID |
CXtBf6NE2Eq |
| Name |
1,2,6,6-Tetramethyl-5-oxo-1-[4'-(methoxycarbonyl)-3'-methylbutyl]-1,2,3,4,5,6,7,10-octahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-14(13-18(22)24-6)9-12-21(5)15(2)7-8-16-17(21)10-11-20(3,4)19(16)23/h14-15H,7-13H2,1-6H3 |
| InChIKey |
MKJYGLMUDMLIAV-UHFFFAOYSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C12=C(C(=O)C(CC2)(C)C)CCC(C1(CCC(CC(=O)OC)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920669 |
![1,2,6,6-Tetramethyl-5-oxo-1-[4'-(methoxycarbonyl)-3'-methylbutyl]-1,2,3,4,5,6,7,10-octahydronaphthalene](/api/spectrum/CXtBf6NE2Eq/structure.png?h=300&w=458 "1,2,6,6-Tetramethyl-5-oxo-1-[4'-(methoxycarbonyl)-3'-methylbutyl]-1,2,3,4,5,6,7,10-octahydronaphthalene")
