| SpectraBase Compound ID | 6aX0wSpG6T0 |
|---|---|
| InChI | InChI=1S/C14H16/c1-12(2)11-13(3)9-10-14-7-5-4-6-8-14/h4-8,12H,3,11H2,1-2H3 |
| InChIKey | KUQIYCOLGUPIFX-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C14H16 |
| Exact Mass | 184.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KzFGygn2Kr |
|---|---|
| Name | Benzene, (5-methyl-3-methylene-1-hexynyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.125200515 u |
| Formula | C14H16 |
| InChI | InChI=1S/C14H16/c1-12(2)11-13(3)9-10-14-7-5-4-6-8-14/h4-8,12H,3,11H2,1-2H3 |
| InChIKey | KUQIYCOLGUPIFX-UHFFFAOYSA-N |
| Molecular Weight | 184.282 g/mol |
| SMILES | C(#CC=1C=CC=CC1)C(=C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831909 |