| SpectraBase Spectrum ID |
KGgux5i21tM |
| Name |
4B,8B,12B,16B-Tetrabromo-4B,8B,12B,16B-tetrahydrodibenzo[A,F]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (tetrabromofenestrindane) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
679.798552515 u |
| Formula |
C29H16Br4 |
| InChI |
InChI=1S/C29H16Br4/c30-25-17-9-1-2-10-18(17)26(31)21-13-5-6-14-22(21)28(33)24-16-8-7-15-23(24)27(32,29(25,26)28)20-12-4-3-11-19(20)25/h1-16H/t25-,26-,27+,28+,29? |
| InChIKey |
BUCRMFAQEBBZSK-YEROFDESSA-N |
| Molecular Weight |
684.063 g/mol |
| SMILES |
C123[C@]4(C=5C=CC=CC5[C@]3(C=3C=CC=CC3[C@@]1(C=1C=CC=CC1[C@]2(C=1C=CC=CC41)Br)Br)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842675 |
![4b,8b,12b,16b-Tetrabromo-4b,8b,12b,16b-tetrahydrodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (Tetrabromofenestrindane)](/api/spectrum/KGgux5i21tM/structure.png?h=300&w=458 "4b,8b,12b,16b-Tetrabromo-4b,8b,12b,16b-tetrahydrodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene (Tetrabromofenestrindane)")
