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3-Dodecylsulfanylprop-1-yl benzyl ether

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

3-Dodecylsulfanylprop-1-yl benzyl ether
SpectraBase Compound ID 8qa500AeEE0
InChI InChI=1S/C22H38OS/c1-2-3-4-5-6-7-8-9-10-14-19-24-20-15-18-23-21-22-16-12-11-13-17-22/h11-13,16-17H,2-10,14-15,18-21H2,1H3
InChIKey HPHMFOQXSQQMKM-UHFFFAOYSA-N
Mol Weight 350.6 g/mol
Molecular Formula C22H38OS
Exact Mass 350.264337 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J6zUmTp4MDw
Name 3-Dodecylsulfanylprop-1-yl benzyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.264337017 u
Formula C22H38OS
InChI InChI=1S/C22H38OS/c1-2-3-4-5-6-7-8-9-10-14-19-24-20-15-18-23-21-22-16-12-11-13-17-22/h11-13,16-17H,2-10,14-15,18-21H2,1H3
InChIKey HPHMFOQXSQQMKM-UHFFFAOYSA-N
Molecular Weight 350.605 g/mol
SMILES C(SCCCOCC1=CC=CC=C1)CCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929583