| SpectraBase Compound ID | 1WDcu3QapH7 |
|---|---|
| InChI | InChI=1S/C12H15Cl/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h5-10H,2-4H2,1H3/b7-5+ |
| InChIKey | VEZFLJSDXFODKV-FNORWQNLSA-N |
| Mol Weight | 194.7 g/mol |
| Molecular Formula | C12H15Cl |
| Exact Mass | 194.086228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9hEcqN8FrAI |
|---|---|
| Name | (E)-1-(3-Chlorophenyl)-1-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.086228183 u |
| Formula | C12H15Cl |
| InChI | InChI=1S/C12H15Cl/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h5-10H,2-4H2,1H3/b7-5+ |
| InChIKey | VEZFLJSDXFODKV-FNORWQNLSA-N |
| Molecular Weight | 194.705 g/mol |
| SMILES | C(\C=C\C=1C=C(C=CC1)Cl)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821427 |