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Thiocane, 2-(2-phenylethyl)-2-(phenylsulfonyl)-, 1,1-dioxide
SpectraBase Compound ID INdXqisJmAs
InChI InChI=1S/C21H26O4S2/c22-26(23)18-10-2-1-9-16-21(26,17-15-19-11-5-3-6-12-19)27(24,25)20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKey HUAUTZHLZNIDMG-UHFFFAOYSA-N
Mol Weight 406.56 g/mol
Molecular Formula C21H26O4S2
Exact Mass 406.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F58mbSD9vIp
Name Thiocane, 2-(2-phenylethyl)-2-(phenylsulfonyl)-, 1,1-dioxide
Alternate Name(s) 1,1-Dioxido-2-(2-phenylethyl)-2-thiocanyl phenyl sulfone 2-(2-phenylethyl)-2-(phenylsulfonyl)thiocane 1,1-dioxide 2-Phenethyl-2-(phenylsulfonyl)-1-thiacyclooctane S,S-dioxide
CAS Registry Number 130220-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4S2
InChI InChI=1S/C21H26O4S2/c22-26(23)18-10-2-1-9-16-21(26,17-15-19-11-5-3-6-12-19)27(24,25)20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKey HUAUTZHLZNIDMG-UHFFFAOYSA-N
Molecular Weight 406.555 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(S(=O)(=O)CCCCCC1)CCc1ccccc1
SPLASH splash10-0006-9310000000-2b79c9363de8ceab81ac
Source of Spectrum C-112-8088-8
Wiley ID 1372071