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1,4-bis[3-(1,3-dithian-2-yl)propyl]-2,5-dimethoxybenzene
SpectraBase Compound ID 8PBOFqArNNy
InChI InChI=1S/C22H34O2S4/c1-23-19-15-18(8-4-10-22-27-13-6-14-28-22)20(24-2)16-17(19)7-3-9-21-25-11-5-12-26-21/h15-16,21-22H,3-14H2,1-2H3
InChIKey CMRNGDMOJKOHSE-UHFFFAOYSA-N
Mol Weight 458.8 g/mol
Molecular Formula C22H34O2S4
Exact Mass 458.144165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtZaxW9ENFi
Name 1,4-bis[3-(1,3-dithian-2-yl)propyl]-2,5-dimethoxybenzene
Alternate Name(s) 2-(3-{4-[3-(1,3-dithian-2-yl)propyl]-2,5-dimethoxyphenyl}propyl)-1,3-dithiane
CAS Registry Number 105020-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2S4
InChI InChI=1S/C22H34O2S4/c1-23-19-15-18(8-4-10-22-27-13-6-14-28-22)20(24-2)16-17(19)7-3-9-21-25-11-5-12-26-21/h15-16,21-22H,3-14H2,1-2H3
InChIKey CMRNGDMOJKOHSE-UHFFFAOYSA-N
Molecular Weight 458.752 g/mol
SMILES c1(cc(CCCC2SCCCS2)c(cc1CCCC1SCCCS1)OC)OC
SPLASH splash10-0a4i-0902700000-dbe64cc2f55d72caea89
Source of Spectrum K-120-91-4
Wiley ID 1389801