![[(2E)-3-methyl-2-pentenyl]benzene](/api/spectrum/DM4S1sBQaQP/structure.png?h=300&w=458 "[(2E)-3-methyl-2-pentenyl]benzene")
| SpectraBase Compound ID | 6uXH9C7BuUt |
|---|---|
| InChI | InChI=1S/C12H16/c1-3-11(2)9-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3/b11-9+ |
| InChIKey | GNWSORBMVABBQJ-PKNBQFBNSA-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 | DM4S1sBQaQP |
|---|---|
| Name | [(2E)-3-Methyl-2-pentenyl]benzene |
| 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/c1-3-11(2)9-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3/b11-9+ |
| InChIKey | GNWSORBMVABBQJ-PKNBQFBNSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C(\C(=C\CC1=CC=CC=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949882 |