| SpectraBase Compound ID | 3qgI8k4bs41 |
|---|---|
| InChI | InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3 |
| InChIKey | HILAULICMJUOLK-UHFFFAOYSA-N |
| Mol Weight | 148.25 g/mol |
| Molecular Formula | C11H16 |
| Exact Mass | 148.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3DY2omsD8sA |
|---|---|
| Name | Benzene, 1,3-diethyl-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.125200515 u |
| Formula | C11H16 |
| InChI | InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3 |
| InChIKey | HILAULICMJUOLK-UHFFFAOYSA-N |
| Molecular Weight | 148.249 g/mol |
| SMILES | C1=C(C=C(C=C1CC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956097 |