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Thiepane, 2-(2-phenylethyl)-2-(phenylsulfonyl)-, 1,1-dioxide
SpectraBase Compound ID 80oIr4gu5M3
InChI InChI=1S/C20H24O4S2/c21-25(22)17-9-3-8-15-20(25,16-14-18-10-4-1-5-11-18)26(23,24)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKey QQCZYPNDCFHLBK-UHFFFAOYSA-N
Mol Weight 392.53 g/mol
Molecular Formula C20H24O4S2
Exact Mass 392.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwIPk72NJRy
Name Thiepane, 2-(2-phenylethyl)-2-(phenylsulfonyl)-, 1,1-dioxide
CAS Registry Number 130220-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O4S2
InChI InChI=1S/C20H24O4S2/c21-25(22)17-9-3-8-15-20(25,16-14-18-10-4-1-5-11-18)26(23,24)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKey QQCZYPNDCFHLBK-UHFFFAOYSA-N
Molecular Weight 392.528 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(S(=O)(=O)CCCCC1)CCc1ccccc1
SPLASH splash10-002f-9200000000-048b26e28671f238846f
Source of Spectrum C-112-8088-8
Synonyms 1,1-Dioxido-2-(2-phenylethyl)-2-thiepanyl phenyl sulfone 2-(2-phenylethyl)-2-(phenylsulfonyl)thiepane 1,1-dioxide 2-Phenethyl-2-(phenylsulfonyl)-1-thiacycloheptane S,S-dioxide
Wiley ID 1365710