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1-Fluoro-4-methoxy-2-[ (phenylsulfanyl)methyl]benzene

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1-Fluoro-4-methoxy-2-[ (phenylsulfanyl)methyl]benzene
SpectraBase Compound ID A82EL92UCyd
InChI InChI=1S/C14H13FOS/c1-16-12-7-8-14(15)11(9-12)10-17-13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKey ZFWLSBJCDJNXBB-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C14H13FOS
Exact Mass 248.067114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID nWdOFCQXUh
Name 1-Fluoro-4-methoxy-2-[ (phenylsulfanyl)methyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.067114375 u
Formula C14H13FOS
InChI InChI=1S/C14H13FOS/c1-16-12-7-8-14(15)11(9-12)10-17-13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKey ZFWLSBJCDJNXBB-UHFFFAOYSA-N
Molecular Weight 248.315 g/mol
SMILES C=1(C(=CC(=CC1)OC)CSC=1C=CC=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826279