| SpectraBase Compound ID | 3xbNz4KjswH |
|---|---|
| InChI | InChI=1S/C17H28/c1-3-4-5-6-7-8-10-13-16(2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3 |
| InChIKey | YHJBCRBYDBNEIK-UHFFFAOYSA-N |
| Mol Weight | 232.41 g/mol |
| Molecular Formula | C17H28 |
| Exact Mass | 232.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FTos7qZCOg6 |
|---|---|
| Name | Benzene, (1-methyldecyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.219100902 u |
| Formula | C17H28 |
| InChI | InChI=1S/C17H28/c1-3-4-5-6-7-8-10-13-16(2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3 |
| InChIKey | YHJBCRBYDBNEIK-UHFFFAOYSA-N |
| Molecular Weight | 232.411 g/mol |
| SMILES | C(C(C)C1=CC=CC=C1)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929436 |