| SpectraBase Spectrum ID |
1aGLkynetow |
| Name |
(4S,4ar,5R,8as)-4-Isopropyl-4A,5-dimethyldecahydronaphthalen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-10(2)12-8-9-14(16)13-7-5-6-11(3)15(12,13)4/h10-13H,5-9H2,1-4H3 |
| InChIKey |
YUBGZLLZRBMESQ-UHFFFAOYSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
C1CCC2C(C1C)(C(CCC2=O)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930002 |