SpectraBase Compound ID | Ho74b2f2MfR |
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InChI | InChI=1S/C9H10Br2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9H,1H3 |
InChIKey | HRCJTKQMNPUUQE-UHFFFAOYSA-N |
Mol Weight | 277.99 g/mol |
Molecular Formula | C9H10Br2 |
Exact Mass | 275.914926 g/mol |
SpectraBase Spectrum ID | FAxxOKB3Jwl |
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Name | 1,2-Dibromo-1-phenylpropane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 275.914926322 u |
Formula | C9H10Br2 |
InChI | InChI=1S/C9H10Br2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9H,1H3 |
InChIKey | HRCJTKQMNPUUQE-UHFFFAOYSA-N |
Molecular Weight | 277.987 g/mol |
SMILES | C1(C(C(Br)C)Br)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946635 |