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(rac)-1-Methoxy-4-[3-(phenylthio)butyl]benzene

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

(rac)-1-Methoxy-4-[3-(phenylthio)butyl]benzene
SpectraBase Compound ID 77MeYoIPXTn
InChI InChI=1S/C17H20OS/c1-14(19-17-6-4-3-5-7-17)8-9-15-10-12-16(18-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3
InChIKey GADOMOASBRBWBZ-UHFFFAOYSA-N
Mol Weight 272.41 g/mol
Molecular Formula C17H20OS
Exact Mass 272.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HTk11bzu3TC
Name (rac)-1-Methoxy-4-[3-(phenylthio)butyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.123486437 u
Formula C17H20OS
InChI InChI=1S/C17H20OS/c1-14(19-17-6-4-3-5-7-17)8-9-15-10-12-16(18-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3
InChIKey GADOMOASBRBWBZ-UHFFFAOYSA-N
Molecular Weight 272.406 g/mol
SMILES C=1C=C(C=CC1OC)CCC(SC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940639