| SpectraBase Spectrum ID |
2DWa6ESp4IL |
| Name |
2,3,9,10-Tetrabromo-5,6,7,12,13,14-hexahydro-6.13-theno-pentacene-15,16-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
619.798552515 u |
| Formula |
C24H16Br4 |
| InChI |
InChI=1S/C24H16Br4/c25-21-7-11-3-17-15-1-2-16(19(17)5-13(11)9-23(21)27)20-6-14-10-24(28)22(26)8-12(14)4-18(15)20/h1-2,7-10,15-16H,3-6H2 |
| InChIKey |
UTAYCLHEEXWCSA-UHFFFAOYSA-N |
| SMILES |
C12=C(C3C4=C(C2C=C3)CC=2C(=CC(=C(C2)Br)Br)C4)CC2=C(C1)C=C(C(Br)=C2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840542 |
