| SpectraBase Spectrum ID |
LvteqwWosO5 |
| Name |
(2S-cis)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-(4-pentenyl)cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.193280075 u |
| Formula |
C15H26O2 |
| InChI |
InChI=1S/C15H26O2/c1-5-6-7-9-15(4)10-8-12(11-13(15)16)14(2,3)17/h5,12,17H,1,6-11H2,2-4H3/t12-,15+/m1/s1 |
| InChIKey |
DDHCGJOJXJVKOD-DOMZBBRYSA-N |
| Molecular Weight |
238.371 g/mol |
| SMILES |
C1([C@](CC[C@](C1)(C(O)(C)C)[H])(CCCC=C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905252 |
