SpectraBase Compound ID | 7G6k1YlKWvp |
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InChI | InChI=1S/C12H8Br4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6,11-12H |
InChIKey | OULPKHKBESTEJR-UHFFFAOYSA-N |
Mol Weight | 471.81 g/mol |
Molecular Formula | C12H8Br4 |
Exact Mass | 467.735952 g/mol |
SpectraBase Spectrum ID | EZj3y7eECRQ |
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Name | Naphthalene, 2,3-bis(dibromomethyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 467.735952258 u |
Formula | C12H8Br4 |
InChI | InChI=1S/C12H8Br4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6,11-12H |
InChIKey | OULPKHKBESTEJR-UHFFFAOYSA-N |
Molecular Weight | 471.812 g/mol |
SMILES | C(Br)(Br)C1=CC2=CC=CC=C2C=C1C(Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899344 |