| SpectraBase Compound ID | 1ORT3TC7RqC |
|---|---|
| InChI | InChI=1S/C14H18/c1-12(2)9-10-13(3)11-14-7-5-4-6-8-14/h4-9H,3,10-11H2,1-2H3 |
| InChIKey | HDKMIZIZXBGIDX-UHFFFAOYSA-N |
| Mol Weight | 186.3 g/mol |
| Molecular Formula | C14H18 |
| Exact Mass | 186.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ICYOOCyKMlR |
|---|---|
| Name | (5-Methyl-2-methylene-hex-4-enyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.140850580 u |
| Formula | C14H18 |
| InChI | InChI=1S/C14H18/c1-12(2)9-10-13(3)11-14-7-5-4-6-8-14/h4-9H,3,10-11H2,1-2H3 |
| InChIKey | HDKMIZIZXBGIDX-UHFFFAOYSA-N |
| Molecular Weight | 186.298 g/mol |
| SMILES | C(=C(C)C)CC(=C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969807 |