| SpectraBase Compound ID | Gvqi8CxYS33 |
|---|---|
| InChI | InChI=1S/C15H24/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3 |
| InChIKey | LNCYHRXIFYLQPO-UHFFFAOYSA-N |
| Mol Weight | 204.36 g/mol |
| Molecular Formula | C15H24 |
| Exact Mass | 204.187801 g/mol |
| SpectraBase Spectrum ID | DLZDlSblcpF |
|---|---|
| Name | Benzene, (2-methyloctyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.187800773 u |
| Formula | C15H24 |
| InChI | InChI=1S/C15H24/c1-3-4-5-7-10-14(2)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3 |
| InChIKey | LNCYHRXIFYLQPO-UHFFFAOYSA-N |
| Molecular Weight | 204.357 g/mol |
| SMILES | C(CC1=CC=CC=C1)(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922368 |