SpectraBase Compound ID | IC2eo4q1bdW |
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InChI | InChI=1S/C8H7Br2Cl/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2 |
InChIKey | YHSHGVABTKZEKC-UHFFFAOYSA-N |
Mol Weight | 298.41 g/mol |
Molecular Formula | C8H7Br2Cl |
Exact Mass | 295.860304 g/mol |
SpectraBase Spectrum ID | FOJSRivjAtQ |
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Name | 1,3-bis(Monobromomethyl)-2-chlorobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 295.860303925 u |
Formula | C8H7Br2Cl |
InChI | InChI=1S/C8H7Br2Cl/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2 |
InChIKey | YHSHGVABTKZEKC-UHFFFAOYSA-N |
Molecular Weight | 298.405 g/mol |
SMILES | C1(=C(C=CC=C1CBr)CBr)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940009 |