| SpectraBase Spectrum ID |
43UnHj84POE |
| Name |
syn-6,18-Diaza-11,23-dithia[2.2](1,4)dibenzocyclooctanophane-5,12,17,24-tetraone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.102099540 u |
| Formula |
C32H22N2O4S2 |
| InChI |
InChI=1S/C32H22N2O4S2/c35-29-25-17-9-10-18-12-14-20(28-26(18)30(36)34-22-6-2-4-8-24(22)40-32(28)38)16-15-19(13-11-17)27(25)31(37)39-23-7-3-1-5-21(23)33-29/h1-8,11-14H,9-10,15-16H2,(H,33,35)(H,34,36) |
| InChIKey |
SMXZWDWLGFMBTM-UHFFFAOYSA-N |
| Molecular Weight |
562.658 g/mol |
| SMILES |
C1(NC=2C(=CC=CC2)SC(C2=C1C=1CCC3=C4C(NC=5C=CC=CC5SC(C4=C(CCC2=CC1)C=C3)=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940622 |
dibenzocyclooctanophane-5,12,17,24-tetraone](/api/spectrum/43UnHj84POE/structure.png?h=300&w=458 "syn-6,18-Diaza-11,23-dithia[2.2](1,4)dibenzocyclooctanophane-5,12,17,24-tetraone")
