| SpectraBase Compound ID | 2L0Wry2NYL4 |
|---|---|
| InChI | InChI=1S/C12H18/c1-6-12-10(4)8(2)7-9(3)11(12)5/h7H,6H2,1-5H3 |
| InChIKey | LMIRBWGPXXKACM-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KDIh5jKrdJt |
|---|---|
| Name | Benzene, 3-ethyl-1,2,4,5-tetramethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-6-12-10(4)8(2)7-9(3)11(12)5/h7H,6H2,1-5H3 |
| InChIKey | LMIRBWGPXXKACM-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | CCC1=C(C)C(C)=CC(=C1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919317 |