![[(Z)-3-chloro-1-methyl-allyl]benzene](/api/spectrum/KjUAqWUjvuO/structure.png?h=300&w=458 "[(Z)-3-chloro-1-methyl-allyl]benzene")
| SpectraBase Compound ID | BPgLqgO500N |
|---|---|
| InChI | InChI=1S/C10H11Cl/c1-9(7-8-11)10-5-3-2-4-6-10/h2-9H,1H3/b8-7- |
| InChIKey | FYTYGMGBSVFRNC-FPLPWBNLSA-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 | KjUAqWUjvuO |
|---|---|
| Name | [(Z)-3-Chloro-1-methyl-allyl]benzene |
| 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/h2-9H,1H3/b8-7- |
| InChIKey | FYTYGMGBSVFRNC-FPLPWBNLSA-N |
| Molecular Weight | 166.651 g/mol |
| SMILES | C(\C=C/Cl)(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980893 |