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(4-Methoxyphenyl)methyl, 2-(bromomethyl)phenyl thioether

View entire compound with spectra: 1 FTIR

(4-Methoxyphenyl)methyl, 2-(bromomethyl)phenyl thioether
SpectraBase Compound ID 1D9XqWuGSxp
InChI InChI=1S/C15H15BrOS/c1-17-14-8-6-12(7-9-14)11-18-15-5-3-2-4-13(15)10-16/h2-9H,10-11H2,1H3
InChIKey CUMGSVPWVPLWQJ-UHFFFAOYSA-N
Mol Weight 323.25 g/mol
Molecular Formula C15H15BrOS
Exact Mass 322.002699 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2AUi2LVHI0a
Name (4-Methoxyphenyl)methyl, 2-(bromomethyl)phenyl thioether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.002699276 u
Formula C15H15BrOS
InChI InChI=1S/C15H15BrOS/c1-17-14-8-6-12(7-9-14)11-18-15-5-3-2-4-13(15)10-16/h2-9H,10-11H2,1H3
InChIKey CUMGSVPWVPLWQJ-UHFFFAOYSA-N
Molecular Weight 323.248 g/mol
SMILES C1=C(C(=CC=C1)CBr)SCC1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922006