| SpectraBase Spectrum ID |
2XJPVuZmNg9 |
| Name |
(1S,4S,5R)-1,8-Dimethyl-4-propan-2-yl-9-spiro[4.5]decanone |
| 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)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3/t11?,12-,13-,15+/m0/s1 |
| InChIKey |
HGEHVVBKUMPQRX-ZBVJJQAHSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
[C@@]12(CC(=O)C(CC2)C)[C@@](CC[C@@]1(C)[H])(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954603 |
![(1S,4S,5R)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]decanone](/api/spectrum/2XJPVuZmNg9/structure.png?h=300&w=458 "(1S,4S,5R)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]decanone")
