| SpectraBase Compound ID | FIHqrwpaLZD |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,6,8-9,11-12H,1,3-5,7,10H2 |
| InChIKey | SAOCHKRLOYGISG-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ya3Jx2tsP |
|---|---|
| Name | Hept-6-enylbenzene |
| 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/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,6,8-9,11-12H,1,3-5,7,10H2 |
| InChIKey | SAOCHKRLOYGISG-UHFFFAOYSA-N |
| SMILES | C(CCCC=C)Cc1ccccc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896923 |