| SpectraBase Compound ID | 8aqR5IqaGQX |
|---|---|
| InChI | InChI=1S/C13H18/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3,8-11H,1,4-7H2,2H3 |
| InChIKey | XLQZKMRSIVFKOV-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A48j8y7O7uL |
|---|---|
| Name | 1-Methyl-4-(1-hexenyl)benzene |
| 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/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3,8-11H,1,4-7H2,2H3 |
| InChIKey | XLQZKMRSIVFKOV-UHFFFAOYSA-N |
| SMILES | C(CCCc1ccc(cc1)C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906991 |