| SpectraBase Compound ID | Bw5sJGk37Ku |
|---|---|
| InChI | InChI=1S/C11H16/c1-5-11-6-8(2)10(4)9(3)7-11/h6-7H,5H2,1-4H3 |
| InChIKey | XAMAWEGCJGSDDP-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 | 3TgrrT5f2V6 |
|---|---|
| Name | Benzene, 5-ethyl-1,2,3-trimethyl- |
| 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/c1-5-11-6-8(2)10(4)9(3)7-11/h6-7H,5H2,1-4H3 |
| InChIKey | XAMAWEGCJGSDDP-UHFFFAOYSA-N |
| Molecular Weight | 148.249 g/mol |
| SMILES | c1(cc(cc(c1C)C)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827503 |