![3,8,12,17-Tetrapropoyl-9,9,18,18-bis(cyclohexamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,16)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione](/api/spectrum/CwYdyOhesvy/structure.png?h=300&w=458 "3,8,12,17-Tetrapropoyl-9,9,18,18-bis(cyclohexamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,16)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione")
| SpectraBase Compound ID | FrmyMO7McpA |
|---|---|
| InChI | InChI=1S/C32H44N8O6S2/c1-5-21(41)37-29-33-27(31(37)15-11-9-12-16-31)35-39(23(43)7-3)26(46)20-48-30-34-28(36-40(24(44)8-4)25(45)19-47-29)32(17-13-10-14-18-32)38(30)22(42)6-2/h5-20H2,1-4H3/b35-27-,36-28+ |
| InChIKey | LARCCRLQLLHLIO-AFVNXXFQSA-N |
| Mol Weight | 700.9 g/mol |
| Molecular Formula | C32H44N8O6S2 |
| Exact Mass | 700.282524 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CwYdyOhesvy |
|---|---|
| Name | 3,8,12,17-Tetrapropoyl-9,9,18,18-bis(cyclohexamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,16)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H44N8O6S2 |
| InChI | InChI=1S/C32H44N8O6S2/c1-5-21(41)37-29-33-27(31(37)15-11-9-12-16-31)35-39(23(43)7-3)26(46)20-48-30-34-28(36-40(24(44)8-4)25(45)19-47-29)32(17-13-10-14-18-32)38(30)22(42)6-2/h5-20H2,1-4H3/b35-27-,36-28+ |
| InChIKey | LARCCRLQLLHLIO-AFVNXXFQSA-N |
| Molecular Weight | 700.874 g/mol |
| SMILES | C12=N\C(=N/N(C(CSC3=N\C(=N\N(C(CS2)=O)C(=O)CC)C2(N3C(=O)CC)CCCCC2)=O)C(=O)CC)C2(N1C(=O)CC)CCCCC2 |
| SPLASH | splash10-004i-0900010000-beb5c124107335d9383f |
| Source of Spectrum | H1-53-2050-8 |
| Wiley ID | 817868 |