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5-Bromocyclohepta[a]phenalene-6,12-dione
SpectraBase Compound ID LW46mD3Njgk
InChI InChI=1S/C18H9BrO2/c19-14-9-11-5-3-6-12-16(11)13(18(14)21)8-10-4-1-2-7-15(20)17(10)12/h1-9H
InChIKey TVWVXWJLJQDAEL-UHFFFAOYSA-N
Mol Weight 337.17 g/mol
Molecular Formula C18H9BrO2
Exact Mass 335.978593 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hjm9Do6MlLn
Name 5-Bromocyclohepta[A]phenalene-6,12-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.978592528 u
Formula C18H9BrO2
InChI InChI=1S/C18H9BrO2/c19-14-9-11-5-3-6-12-16(11)13(18(14)21)8-10-4-1-2-7-15(20)17(10)12/h1-9H
InChIKey TVWVXWJLJQDAEL-UHFFFAOYSA-N
Molecular Weight 337.172 g/mol
SMILES C12=C3C(C=CC=C3C=C(C1=O)Br)=C1C(=C2)C=CC=CC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903607