| SpectraBase Spectrum ID |
GP10i86iewX |
| Name |
Cyclohexanone, 2-methyl-6-(4-phenylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.182715392 u |
| Formula |
C17H24O |
| InChI |
InChI=1S/C17H24O/c1-14-8-7-13-16(17(14)18)12-6-5-11-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3 |
| InChIKey |
XBIBRSCTFQHKHR-UHFFFAOYSA-N |
| Molecular Weight |
244.378 g/mol |
| SMILES |
C1(CCCC(C1=O)C)CCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867648 |
