| SpectraBase Compound ID | IHUJYpX2lsp |
|---|---|
| InChI | InChI=1S/C18H30/c1-3-5-7-9-13-17-15-11-12-16-18(17)14-10-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3 |
| InChIKey | GVSYDCGFYSVNAX-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 | Bynn4t5uM7N |
|---|---|
| Name | Benzene, 1,2-dihexyl- |
| 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/c1-3-5-7-9-13-17-15-11-12-16-18(17)14-10-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3 |
| InChIKey | GVSYDCGFYSVNAX-UHFFFAOYSA-N |
| SMILES | C(CCCC)Cc1c(CCCCCC)cccc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968125 |