| SpectraBase Compound ID | FVUZKNCQDhJ |
|---|---|
| InChI | InChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3 |
| InChIKey | PYVIFMPVFLOTLN-UHFFFAOYSA-N |
| Mol Weight | 218.38 g/mol |
| Molecular Formula | C16H26 |
| Exact Mass | 218.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HFIsZknl73F |
|---|---|
| Name | Benzene, (1-ethyloctyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.203450837 u |
| Formula | C16H26 |
| InChI | InChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3 |
| InChIKey | PYVIFMPVFLOTLN-UHFFFAOYSA-N |
| Molecular Weight | 218.384 g/mol |
| SMILES | C(C(CC)C1=CC=CC=C1)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951708 |