| SpectraBase Spectrum ID |
B4XfvehhfxW |
| Name |
1,1'-bi-1H-Indole, 5,5'-dibromo-6,6'-bis(1,1-dimethylethyl)-2,2',3,3'-tetrahydro-3,3,3', 3'-tetramethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
560.140175232 u |
| Formula |
C28H38Br2N2 |
| InChI |
InChI=1S/C28H38Br2N2/c1-25(2,3)17-13-23-19(11-21(17)29)27(7,8)15-31(23)32-16-28(9,10)20-12-22(30)18(14-24(20)32)26(4,5)6/h11-14H,15-16H2,1-10H3 |
| InChIKey |
GHXQEEIULDQJRE-UHFFFAOYSA-N |
| Molecular Weight |
562.434 g/mol |
| SMILES |
C=12N(N3C4=C(C=C(C(=C4)C(C)(C)C)Br)C(C3)(C)C)CC(C1C=C(C(=C2)C(C)(C)C)Br)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96025 |
