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3,5-Dichloro-4-benzyloxybromobenzene

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3,5-Dichloro-4-benzyloxybromobenzene
SpectraBase Compound ID 1lo78f7cxN9
InChI InChI=1S/C13H9BrCl2O/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey IFBZRCLFOBNPKB-UHFFFAOYSA-N
Mol Weight 332.02 g/mol
Molecular Formula C13H9BrCl2O
Exact Mass 329.921383 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2H0nF4gBbkq
Name 3,5-Dichloro-4-benzyloxybromobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.921383309 u
Formula C13H9BrCl2O
InChI InChI=1S/C13H9BrCl2O/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey IFBZRCLFOBNPKB-UHFFFAOYSA-N
Molecular Weight 332.024 g/mol
SMILES C1(=C(C(=CC(=C1)Br)Cl)OCC1=CC=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926161