| SpectraBase Compound ID | EeAzY34g4BK |
|---|---|
| InChI | InChI=1S/C36H40N2O8S4/c1-5-43-33(39)25-11-26(34(40)44-6-2)30-18-48-14-23-9-21(13-47-17-29(25)37-30)22-10-24(23)16-50-20-32-28(36(42)46-8-4)12-27(35(41)45-7-3)31(38-32)19-49-15-22/h9-12H,5-8,13-20H2,1-4H3 |
| InChIKey | PYNAJWSJXIYWQU-UHFFFAOYSA-N |
| Mol Weight | 757.0 g/mol |
| Molecular Formula | C36H40N2O8S4 |
| Exact Mass | 756.166751 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1It3gFBfXKP |
|---|---|
| Name | m/m-Pyridinophane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H40N2O8S4 |
| InChI | InChI=1S/C36H40N2O8S4/c1-5-43-33(39)25-11-26(34(40)44-6-2)30-18-48-14-23-9-21(13-47-17-29(25)37-30)22-10-24(23)16-50-20-32-28(36(42)46-8-4)12-27(35(41)45-7-3)31(38-32)19-49-15-22/h9-12H,5-8,13-20H2,1-4H3 |
| InChIKey | PYNAJWSJXIYWQU-UHFFFAOYSA-N |
| Molecular Weight | 756.962 g/mol |
| SMILES | c1(cc(C(=O)OCC)c2nc1CSCc1c3cc(c(c1)CSC2)CSCc1c(C(=O)OCC)cc(c(n1)CSC3)C(=O)OCC)C(=O)OCC |
| SPLASH | splash10-0a4i-0200010900-6538a9d7d15e6d983f1a |
| Source of Spectrum | U-1996-2121-6 |
| Synonyms | 7,9,25,27-tetrakis(Ethoxycarbonyl)-2,11,20,29-tetrathia[3.3]-[2,6]-pyridino[1,3]-benzeno[3.3]-(4,6)benzeno-(2,6)pyridino<3>phane Tetraethyl 4,12,17,25-tetrathia-28,30-diazapentacyclo[13.11.1.1(2,14).1(6,10).1(19,23)]triaconta-1(27),2(29),6(30),7,9,14,19(28),20,22-nonaene-7,9,20,22-tetracarboxylate |
| Wiley ID | 769234 |