| SpectraBase Compound ID | KDLejWQndGv |
|---|---|
| InChI | InChI=1S/C10H11Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2 |
| InChIKey | JKOFRQLHZFFNAW-UHFFFAOYSA-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 | 8N5FJDtuGZf |
|---|---|
| Name | 2-(Chloromethyl)allylbenzene |
| 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(8-11)7-10-5-3-2-4-6-10/h2-6H,1,7-8H2 |
| InChIKey | JKOFRQLHZFFNAW-UHFFFAOYSA-N |
| Molecular Weight | 166.651 g/mol |
| SMILES | C=C(CCl)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985494 |