![(S,S)-1,5-bis[o-(p,p'-hexamethylenedioxyphenylsulfinyl)phenoxy]-3-oxapentane](/api/spectrum/HDrbcaWFqJC/structure.png?h=300&w=458 "(S,S)-1,5-bis[o-(p,p'-hexamethylenedioxyphenylsulfinyl)phenoxy]-3-oxapentane")
| SpectraBase Compound ID | 4C9YzKlOlA9 |
|---|---|
| InChI | InChI=1S/C34H36O7S2/c35-42-25-3-1-2-4-26-43(36)41-34-19-11-30(12-20-34)28-7-15-32(16-8-28)39-24-22-37-21-23-38-31-13-5-27(6-14-31)29-9-17-33(40-42)18-10-29/h5-20H,1-4,21-26H2 |
| InChIKey | LQNAJGBIIPUAAG-UHFFFAOYSA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C34H36O7S2 |
| Exact Mass | 620.190246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HDrbcaWFqJC |
|---|---|
| Name | (S,S)-1,5-bis[o-(p,p'-hexamethylenedioxyphenylsulfinyl)phenoxy]-3-oxapentane |
| Alternate Name(s) | 6,9,12,21,30-pentaoxa-22,29-dithiapentacyclo[29.2.2.2(2,5).2(13,16).2(17,20)]hentetraconta-1(33),2,4,13,15,17,19,31,34,36,38,40-dodecaene 22,29-dioxide |
| CAS Registry Number | 113344-77-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H36O7S2 |
| InChI | InChI=1S/C34H36O7S2/c35-42-25-3-1-2-4-26-43(36)41-34-19-11-30(12-20-34)28-7-15-32(16-8-28)39-24-22-37-21-23-38-31-13-5-27(6-14-31)29-9-17-33(40-42)18-10-29/h5-20H,1-4,21-26H2 |
| InChIKey | LQNAJGBIIPUAAG-UHFFFAOYSA-N |
| Molecular Weight | 620.775 g/mol |
| SMILES | c12O[S@](CCCCCC[S@@](Oc3ccc(-c4ccc(OCCOCCOc5ccc(-c(cc2)cc1)cc5)cc4)cc3)=O)=O |
| SPLASH | splash10-0a4i-9000026000-b8ae382b18709251d9aa |
| Source of Spectrum | B-40-76-22 |
| Wiley ID | 1411540 |