| SpectraBase Compound ID | E6SvGVSV0IL |
|---|---|
| InChI | InChI=1S/C10H13Cl/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3,8H2,1H3 |
| InChIKey | OCGNQJCQAQWYOI-UHFFFAOYSA-N |
| Mol Weight | 168.67 g/mol |
| Molecular Formula | C10H13Cl |
| Exact Mass | 168.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6u0wNY33IUr |
|---|---|
| Name | 1-(Chloromethyl)-4-propylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.070578119 u |
| Formula | C10H13Cl |
| InChI | InChI=1S/C10H13Cl/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3,8H2,1H3 |
| InChIKey | OCGNQJCQAQWYOI-UHFFFAOYSA-N |
| Molecular Weight | 168.667 g/mol |
| SMILES | C=1(C=CC(=CC1)CCl)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947258 |