| SpectraBase Spectrum ID |
7oytNWKklVm |
| Name |
Benzene, 2,4-dibromo-1,3,5-tris(2,2-dimethylpropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.102727095 u |
| Formula |
C21H34Br2 |
| InChI |
InChI=1S/C21H34Br2/c1-19(2,3)11-14-10-15(12-20(4,5)6)18(23)16(17(14)22)13-21(7,8)9/h10H,11-13H2,1-9H3 |
| InChIKey |
XKRMFPOPCKLHDN-UHFFFAOYSA-N |
| Molecular Weight |
446.311 g/mol |
| SMILES |
C(CC1=C(Br)C(CC(C)(C)C)=CC(=C1Br)CC(C)(C)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907243 |
