| SpectraBase Compound ID | DARotOnMm5J |
|---|---|
| InChI | InChI=1S/C17H27Br/c1-11(2)13-9-12(16(3,4)5)10-14(15(13)18)17(6,7)8/h9-11H,1-8H3 |
| InChIKey | ZIANTGJOJXMBKH-UHFFFAOYSA-N |
| Mol Weight | 311.31 g/mol |
| Molecular Formula | C17H27Br |
| Exact Mass | 310.129614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Km3tW0XIkKI |
|---|---|
| Name | 2-Bromo-1,5-di-T-butyl-3-isopropylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.129613869 u |
| Formula | C17H27Br |
| InChI | InChI=1S/C17H27Br/c1-11(2)13-9-12(16(3,4)5)10-14(15(13)18)17(6,7)8/h9-11H,1-8H3 |
| InChIKey | ZIANTGJOJXMBKH-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C=C(C1)C(C)(C)C)C(C)C)Br)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967513 |