For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S,S)-1,5-bis[o-(p,p'-octamethylenedioxyphenylsulfinyl)phenoxy]-3-oxa-pentane
SpectraBase Compound ID I6tVvChA2cb
InChI InChI=1S/C36H40O7S2/c37-44-31-19-15-29(16-20-31)40-23-9-3-1-2-4-10-24-41-30-17-21-32(22-18-30)45(38)36-14-8-6-12-34(36)43-28-26-39-25-27-42-33-11-5-7-13-35(33)44/h5-8,11-22H,1-4,9-10,23-28H2
InChIKey QYLWRHXWXCKMCE-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C36H40O7S2
Exact Mass 648.221546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ec1cWPe872h
Name (S,S)-1,5-bis[o-(p,p'-octamethylenedioxyphenylsulfinyl)phenoxy]-3-oxa-pentane
Alternate Name(s) 9,12,15,27,36-pentaoxa-2,22-dithiapentacyclo[35.2.2.2(23,26).0(3,8).0(16,21)]tritetraconta-1(39),3,5,7,16,18,20,23,25,37,40,42-dodecaene 2,22-dioxide
CAS Registry Number 113344-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40O7S2
InChI InChI=1S/C36H40O7S2/c37-44-31-19-15-29(16-20-31)40-23-9-3-1-2-4-10-24-41-30-17-21-32(22-18-30)45(38)36-14-8-6-12-34(36)43-28-26-39-25-27-42-33-11-5-7-13-35(33)44/h5-8,11-22H,1-4,9-10,23-28H2
InChIKey QYLWRHXWXCKMCE-UHFFFAOYSA-N
Molecular Weight 648.829 g/mol
SMILES c12S(c3ccc(OCCCCCCCCOc4ccc(S(c5c(OCCOCCOc2cccc1)cccc5)=O)cc4)cc3)=O
SPLASH splash10-069u-9000003000-350d3d3841fcef254a39
Source of Spectrum B-40-77-23
Wiley ID 1413023