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4-Butylsulfanylphenyl 4-methanebenzenesulfonate
SpectraBase Compound ID HDArZ610kld
InChI InChI=1S/C17H20O3S2/c1-3-4-13-21-16-9-7-15(8-10-16)20-22(18,19)17-11-5-14(2)6-12-17/h5-12H,3-4,13H2,1-2H3
InChIKey CZOFNICISQCSAH-UHFFFAOYSA-N
Mol Weight 336.46 g/mol
Molecular Formula C17H20O3S2
Exact Mass 336.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Yo6F7E13KE
Name 4-Butylsulfanylphenyl 4-methanebenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S2
InChI InChI=1S/C17H20O3S2/c1-3-4-13-21-16-9-7-15(8-10-16)20-22(18,19)17-11-5-14(2)6-12-17/h5-12H,3-4,13H2,1-2H3
InChIKey CZOFNICISQCSAH-UHFFFAOYSA-N
Molecular Weight 336.464 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)ccc(cc1)SCCCC
SPLASH splash10-001r-1905000000-05ef61c1d6e4239a941c
Source of Spectrum KC-61-5257-2
Synonyms (4-butylsulfanylphenyl) 4-methylbenzenesulfonate
Wiley ID 1629326