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cyclohexyl 2-(phenylthio)propane-1-sulfonate

View entire compound with spectra: 1 MS (GC)

cyclohexyl 2-(phenylthio)propane-1-sulfonate
SpectraBase Compound ID Kjlj1MmTL0q
InChI InChI=1S/C15H22O3S2/c1-13(19-15-10-6-3-7-11-15)12-20(16,17)18-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3
InChIKey BFLNVGNAGYIBPF-UHFFFAOYSA-N
Mol Weight 314.46 g/mol
Molecular Formula C15H22O3S2
Exact Mass 314.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z1YsqfxiZH
Name cyclohexyl 2-(phenylthio)propane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3S2
InChI InChI=1S/C15H22O3S2/c1-13(19-15-10-6-3-7-11-15)12-20(16,17)18-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3
InChIKey BFLNVGNAGYIBPF-UHFFFAOYSA-N
Molecular Weight 314.458 g/mol
SMILES C(S(OC1CCCCC1)(=O)=O)C(Sc1ccccc1)C
SPLASH splash10-0gx0-1974000000-ace0068db12dc56119d7
Source of Spectrum U1-2009-1662-8a
Wiley ID 1662746