SpectraBase Compound ID | AZOaANCqlNb |
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InChI | InChI=1S/C11H14Br2/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
InChIKey | QUFXMMWNIHUHOM-UHFFFAOYSA-N |
Mol Weight | 306.04 g/mol |
Molecular Formula | C11H14Br2 |
Exact Mass | 303.946226 g/mol |
SpectraBase Spectrum ID | Ch5GLhPJeoW |
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Name | [3-Bromo-2-(bromomethyl)-2-methylpropyl]benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 303.946226451 u |
Formula | C11H14Br2 |
InChI | InChI=1S/C11H14Br2/c1-11(8-12,9-13)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
InChIKey | QUFXMMWNIHUHOM-UHFFFAOYSA-N |
Molecular Weight | 306.041 g/mol |
SMILES | C(CC=1C=CC=CC1)(CBr)(CBr)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929384 |