| SpectraBase Compound ID | 5ZHudXQ5toL |
|---|---|
| InChI | InChI=1S/C13H18/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3 |
| InChIKey | BWWCRLZKQJKEMM-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 | DNwXLk2RBgP |
|---|---|
| Name | 5-Phenyl-2-methylhex-2-ene |
| 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(2)9-10-12(3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3 |
| InChIKey | BWWCRLZKQJKEMM-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C(=C(C)C)CC(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982741 |