| SpectraBase Compound ID | FIm4dIACvHB |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h3-4,6,8-9,11-12H,2,5,7,10H2,1H3/b4-3+ |
| InChIKey | SQHALWUTJHPRGL-ONEGZZNKSA-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 | ZmXqoXZBER |
|---|---|
| Name | 3-Heptene, 7-phenyl- |
| 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/h3-4,6,8-9,11-12H,2,5,7,10H2,1H3/b4-3+ |
| InChIKey | SQHALWUTJHPRGL-ONEGZZNKSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C(CC1=CC=CC=C1)C\C=C\CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97777 |