| SpectraBase Compound ID | 2udOERQvWB5 |
|---|---|
| InChI | InChI=1S/C10H11Cl/c1-3-10(11)9-6-4-8(2)5-7-9/h3-7H,1-2H3/b10-3+ |
| InChIKey | RDVIFVNYRHPMFV-XCVCLJGOSA-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 | 1BM4ioRuj6E |
|---|---|
| Name | Benzene, 1-(1-chloro-1-propenyl)-4-methyl-, (E)- |
| 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/c1-3-10(11)9-6-4-8(2)5-7-9/h3-7H,1-2H3/b10-3+ |
| InChIKey | RDVIFVNYRHPMFV-XCVCLJGOSA-N |
| Molecular Weight | 166.651 g/mol |
| SMILES | C=1(\C(=C/C)Cl)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830844 |