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1-(3-Methoxy-4-phenylbutoxy)-4-bromobenzene

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

1-(3-Methoxy-4-phenylbutoxy)-4-bromobenzene
SpectraBase Compound ID 2RY8M9tsqU1
InChI InChI=1S/C17H19BrO2/c1-19-17(13-14-5-3-2-4-6-14)11-12-20-16-9-7-15(18)8-10-16/h2-10,17H,11-13H2,1H3
InChIKey RNGIZAYMFLWRGQ-UHFFFAOYSA-N
Mol Weight 335.24 g/mol
Molecular Formula C17H19BrO2
Exact Mass 334.056843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KUfGRtmdZKA
Name 1-(3-Methoxy-4-phenylbutoxy)-4-bromobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.056842850 u
Formula C17H19BrO2
InChI InChI=1S/C17H19BrO2/c1-19-17(13-14-5-3-2-4-6-14)11-12-20-16-9-7-15(18)8-10-16/h2-10,17H,11-13H2,1H3
InChIKey RNGIZAYMFLWRGQ-UHFFFAOYSA-N
Molecular Weight 335.241 g/mol
SMILES C=1(C=CC(=CC1)Br)OCCC(CC=1C=CC=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936802