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3-(Phenylmethylsulfanyl)propyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

3-(Phenylmethylsulfanyl)propyl 4-methylbenzenesulfonate
SpectraBase Compound ID KQ7Md6e2ZEB
InChI InChI=1S/C17H20O3S2/c1-15-8-10-17(11-9-15)22(18,19)20-12-5-13-21-14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3
InChIKey GREACSUPGDWMFF-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 4fwpkMKG3ux
Name 3-(Phenylmethylsulfanyl)propyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid 3-(benzylthio)propyl ester 4-Methylbenzenesulfonic acid 3-(phenylmethylthio)propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S2
InChI InChI=1S/C17H20O3S2/c1-15-8-10-17(11-9-15)22(18,19)20-12-5-13-21-14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3
InChIKey GREACSUPGDWMFF-UHFFFAOYSA-N
Molecular Weight 336.464 g/mol
SMILES c1(S(=O)(=O)OCCCSCc2ccccc2)ccc(cc1)C
SPLASH splash10-0006-9401000000-8d5df5751999b211bd03
Source of Spectrum F-55-9620-17
Wiley ID 838623