| SpectraBase Spectrum ID |
Af6KdzLsSiL |
| Name |
2,2'-(1,4-Phenylenedithio)bis(1,4-naphthoquinone) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.033351275 u |
| Formula |
C26H14O4S2 |
| InChI |
InChI=1S/C26H14O4S2/c27-21-13-23(25(29)19-7-3-1-5-17(19)21)31-15-9-11-16(12-10-15)32-24-14-22(28)18-6-2-4-8-20(18)26(24)30/h1-14H |
| InChIKey |
OOBKZUBDNFEERR-UHFFFAOYSA-N |
| Molecular Weight |
454.514 g/mol |
| SMILES |
C=1(C=CC(=CC1)SC=1C(C2=C(C(C1)=O)C=CC=C2)=O)SC=1C(C2=C(C(C1)=O)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901432 |
