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2-(p-Hydroxybenzyl)-2-(chloromethyl)-1,3-dichloropropane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(p-Hydroxybenzyl)-2-(chloromethyl)-1,3-dichloropropane
SpectraBase Compound ID InAh3SEPwr8
InChI InChI=1S/C11H13Cl3O/c12-6-11(7-13,8-14)5-9-1-3-10(15)4-2-9/h1-4,15H,5-8H2
InChIKey XANJWJPBRWPZOB-UHFFFAOYSA-N
Mol Weight 267.58 g/mol
Molecular Formula C11H13Cl3O
Exact Mass 266.003198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HhGMBc8f6h
Name 2-(p-Hydroxybenzyl)-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 266.003198138 u
Formula C11H13Cl3O
InChI InChI=1S/C11H13Cl3O/c12-6-11(7-13,8-14)5-9-1-3-10(15)4-2-9/h1-4,15H,5-8H2
InChIKey XANJWJPBRWPZOB-UHFFFAOYSA-N
Molecular Weight 267.583 g/mol
SMILES C(CC=1C=CC(=CC1)O)(CCl)(CCl)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886657