| SpectraBase Spectrum ID |
DbpfMfOMke0 |
| Name |
7A-Methyl-6-octyl-7,7A-dihydro-1H-inden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.198365456 u |
| Formula |
C18H26O |
| InChI |
InChI=1S/C18H26O/c1-3-4-5-6-7-8-9-15-10-11-16-12-13-17(19)18(16,2)14-15/h10-13H,3-9,14H2,1-2H3 |
| InChIKey |
WKHXIPOVULKCDL-UHFFFAOYSA-N |
| Molecular Weight |
258.405 g/mol |
| SMILES |
C12(C(C=CC2=O)=CC=C(C1)CCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844345 |
