| SpectraBase Compound ID | LefhbJ1RZDx |
|---|---|
| InChI | InChI=1S/C13H18/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3 |
| InChIKey | WJFYQJWQEIDDLQ-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HuoYPnybyTF |
|---|---|
| Name | Benzene, (3,3-dimethyl-1-methylenebutyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3 |
| InChIKey | WJFYQJWQEIDDLQ-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C(C(=C)C1=CC=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949761 |