| SpectraBase Spectrum ID |
2kcl4UvC9z1 |
| Name |
(2S,4as,5S,8ar)-Perhydro-5,8A-dimethylnaphthalen-2-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-10-5-4-8-14(3)9-12(16-11(2)15)6-7-13(10)14/h10,12-13H,4-9H2,1-3H3/t10-,12-,13-,14+/m0/s1 |
| InChIKey |
BXBWSRBNHJYXLX-DOERSZECSA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
[C@]12([C@@](CC[C@](OC(=O)C)(C2)[H])([C@@](C)(CCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979627 |
