| SpectraBase Compound ID | 4BU2D6e1epp |
|---|---|
| InChI | InChI=1S/C18H30/c1-3-5-7-9-11-17-13-15-18(16-14-17)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3 |
| InChIKey | OWMJCCSXHIFCCM-UHFFFAOYSA-N |
| Mol Weight | 246.44 g/mol |
| Molecular Formula | C18H30 |
| Exact Mass | 246.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 76PvwRTzxjD |
|---|---|
| Name | 1,4-Dihexyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.234750966 u |
| Formula | C18H30 |
| InChI | InChI=1S/C18H30/c1-3-5-7-9-11-17-13-15-18(16-14-17)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3 |
| InChIKey | OWMJCCSXHIFCCM-UHFFFAOYSA-N |
| Molecular Weight | 246.438 g/mol |
| SMILES | c1(ccc(cc1)CCCCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951866 |