| SpectraBase Compound ID | 825EE1hAZ9h |
|---|---|
| InChI | InChI=1S/C10H11Cl/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7+ |
| InChIKey | DRTWWVVORUNCJP-VQHVLOKHSA-N |
| Mol Weight | 166.65 g/mol |
| Molecular Formula | C10H11Cl |
| Exact Mass | 166.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HumFoAX0UJa |
|---|---|
| Name | (E)-1-Chloro-3-phenyl-2-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.054928054 u |
| Formula | C10H11Cl |
| InChI | InChI=1S/C10H11Cl/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7+ |
| InChIKey | DRTWWVVORUNCJP-VQHVLOKHSA-N |
| Molecular Weight | 166.651 g/mol |
| SMILES | C(Cl)\C=C/(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962849 |