| SpectraBase Compound ID | 87BRnN8YpfM |
|---|---|
| InChI | InChI=1S/C12H16/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3 |
| InChIKey | NKDQCWOVRPPHEF-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5FkUwPlNoiw |
|---|---|
| Name | Benzene, (1,3-dimethyl-2-butenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3 |
| InChIKey | NKDQCWOVRPPHEF-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C(C(C)C1=CC=CC=C1)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973424 |