| SpectraBase Spectrum ID |
I32FJm9Tlcc |
| Name |
Ethanone, 1-[5-[2-(acetyloxy)ethyl]-3A,4,5,6,7,7A-hexahydro-6,6-dimethyl-7-methylene-1H-inden-3-yl]-, [3ar-(3A.alpha.,5.alpha.,7A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.188194694 u |
| Formula |
C18H26O3 |
| InChI |
InChI=1S/C18H26O3/c1-11-15-6-7-16(12(2)19)17(15)10-14(18(11,4)5)8-9-21-13(3)20/h6-7,14-17H,1,8-10H2,2-5H3/t14-,15-,16?,17+/m1/s1 |
| InChIKey |
MJILQTYKNJTPBJ-YKNYVSNTSA-N |
| Molecular Weight |
290.403 g/mol |
| SMILES |
C1([C@@]2([C@](C(C(=O)C)C=C2)([H])C[C@](C1(C)C)(CCOC(=O)C)[H])[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834173 |
![Ethanone, 1-[5-[2-(acetyloxy)ethyl]-3a,4,5,6,7,7a-hexahydro-6,6-dimethyl-7-methylene-1H-inden-3-yl]-, [3aR-(3a.alpha.,5.alpha.,7a.beta.)]-](/api/spectrum/I32FJm9Tlcc/structure.png?h=300&w=458 "Ethanone, 1-[5-[2-(acetyloxy)ethyl]-3a,4,5,6,7,7a-hexahydro-6,6-dimethyl-7-methylene-1H-inden-3-yl]-, [3aR-(3a.alpha.,5.alpha.,7a.beta.)]-")
