| SpectraBase Compound ID | 8A6vJ0L23Wc |
|---|---|
| InChI | InChI=1S/C36H40N2O8S4/c1-5-43-33(39)25-11-26(34(40)44-6-2)30-18-48-14-22-10-24-16-50-20-32-28(36(42)46-8-4)12-27(35(41)45-7-3)31(38-32)19-49-15-23(24)9-21(22)13-47-17-29(25)37-30/h9-12H,5-8,13-20H2,1-4H3 |
| InChIKey | URJMJAUGVAXLRF-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 | DmBZ7ezF1DC |
|---|---|
| Name | o/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)30-18-48-14-22-10-24-16-50-20-32-28(36(42)46-8-4)12-27(35(41)45-7-3)31(38-32)19-49-15-23(24)9-21(22)13-47-17-29(25)37-30/h9-12H,5-8,13-20H2,1-4H3 |
| InChIKey | URJMJAUGVAXLRF-UHFFFAOYSA-N |
| Molecular Weight | 756.962 g/mol |
| SMILES | c1(cc(C(=O)OCC)c2nc1CSCc1c(cc3c(c1)CSCc1c(cc(c(CSC3)n1)C(=O)OCC)C(=O)OCC)CSC2)C(=O)OCC |
| SPLASH | splash10-0a4i-0200000900-d6e3c4a1b931e841c6a3 |
| Source of Spectrum | U-1996-2121-7 |
| Synonyms | Tetraethyl 3,9,17,23-tetrathia-29,30-diazapentacyclo[23.3.1.1(11,15).0(5,21).0(7,19)]triaconta-1(29),5(21),6,11(30),12,14,19,25,27-nonaene-12,14,26,28-tetracarboxylate |
| Wiley ID | 769233 |