| SpectraBase Compound ID | IEK74ROj1UT |
|---|---|
| InChI | InChI=1S/C16H24/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h4,8,10-11,13-15H,2-3,5-7,9,12H2,1H3 |
| InChIKey | TZUVQXJOICCFDF-UHFFFAOYSA-N |
| Mol Weight | 216.37 g/mol |
| Molecular Formula | C16H24 |
| Exact Mass | 216.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1yv2Z1BJnuI |
|---|---|
| Name | 1-Heptylallylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.187800773 u |
| Formula | C16H24 |
| InChI | InChI=1S/C16H24/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h4,8,10-11,13-15H,2-3,5-7,9,12H2,1H3 |
| InChIKey | TZUVQXJOICCFDF-UHFFFAOYSA-N |
| Molecular Weight | 216.368 g/mol |
| SMILES | C(=C)C(C=1C=CC=CC1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940579 |