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3,4-bis(Dibromomethyl)benzoic acid

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3,4-bis(Dibromomethyl)benzoic acid
SpectraBase Compound ID GkXmfh1NwTY
InChI InChI=1S/C9H6Br4O2/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3,7-8H,(H,14,15)
InChIKey KIHGYNCJGMCUHL-UHFFFAOYSA-N
Mol Weight 465.76 g/mol
Molecular Formula C9H6Br4O2
Exact Mass 461.710131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B4mnxLqwMCy
Name 3,4-bis(Dibromomethyl)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.710131431 u
Formula C9H6Br4O2
InChI InChI=1S/C9H6Br4O2/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3,7-8H,(H,14,15)
InChIKey KIHGYNCJGMCUHL-UHFFFAOYSA-N
Molecular Weight 465.761 g/mol
SMILES C1(=C(C=CC(=C1)C(=O)O)C(Br)Br)C(Br)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927175