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(S,S)-1,9-bis[o-(p,p'-hexamethylenedioxyphenylsulfinyl)phenyl]-2,5,8-trioxanonane
SpectraBase Compound ID 2Qai2ZC24jy
InChI InChI=1S/C36H40O7S2/c37-44-33-17-13-31(14-18-33)42-21-7-1-2-8-22-43-32-15-19-34(20-16-32)45(38)36-12-6-4-10-30(36)28-41-26-24-39-23-25-40-27-29-9-3-5-11-35(29)44/h3-6,9-20H,1-2,7-8,21-28H2
InChIKey NMZUUOVRDYAEIZ-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C36H40O7S2
Exact Mass 648.221546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBOhpU07Ui0
Name (S,S)-1,9-bis[o-(p,p'-hexamethylenedioxyphenylsulfinyl)phenyl]-2,5,8-trioxanonane
Alternate Name(s) 10,13,16,29,36-pentaoxa-2,24-dithiapentacyclo[35.2.2.2(25,28).0(3,8).0(18,23)]tritetraconta-1(39),3,5,7,18,20,22,25,27,37,40,42-dodecaene 2,24-dioxide
CAS Registry Number 113344-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40O7S2
InChI InChI=1S/C36H40O7S2/c37-44-33-17-13-31(14-18-33)42-21-7-1-2-8-22-43-32-15-19-34(20-16-32)45(38)36-12-6-4-10-30(36)28-41-26-24-39-23-25-40-27-29-9-3-5-11-35(29)44/h3-6,9-20H,1-2,7-8,21-28H2
InChIKey NMZUUOVRDYAEIZ-UHFFFAOYSA-N
Molecular Weight 648.829 g/mol
SMILES c12S(c3ccc(OCCCCCCOc4ccc(S(c5c(COCCOCCOCc2cccc1)cccc5)=O)cc4)cc3)=O
SPLASH splash10-06w1-9420000000-23eaf04603c769dac85c
Source of Spectrum B-40-77-31
Wiley ID 1413024