| SpectraBase Compound ID | 4GTnNT1YnTI |
|---|---|
| InChI | InChI=1S/C12H15Cl3O/c1-16-11-4-2-10(3-5-11)6-12(7-13,8-14)9-15/h2-5H,6-9H2,1H3 |
| InChIKey | IMCVHYJAJLUMOB-UHFFFAOYSA-N |
| Mol Weight | 281.61 g/mol |
| Molecular Formula | C12H15Cl3O |
| Exact Mass | 280.018848 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I0mhXPyTiAi |
|---|---|
| Name | 2-(p-Methoxybenzyl)-2-(chloromethyl)-1,3-dichloropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.018848202 u |
| Formula | C12H15Cl3O |
| InChI | InChI=1S/C12H15Cl3O/c1-16-11-4-2-10(3-5-11)6-12(7-13,8-14)9-15/h2-5H,6-9H2,1H3 |
| InChIKey | IMCVHYJAJLUMOB-UHFFFAOYSA-N |
| SMILES | C(CC1=CC=C(C=C1)OC)(CCl)(CCl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924616 |