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1,3,6,8-Tetrabromo-phenanthrene

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1,3,6,8-Tetrabromo-phenanthrene
SpectraBase Compound ID LRt85XLWXKr
InChI InChI=1S/C14H6Br4/c15-7-3-11-9(13(17)5-7)1-2-10-12(11)4-8(16)6-14(10)18/h1-6H
InChIKey ULMRAUVYGFUGNB-UHFFFAOYSA-N
Mol Weight 493.82 g/mol
Molecular Formula C14H6Br4
Exact Mass 489.720302 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID rrrfJN3Rdo
Name 1,3,6,8-Tetrabromo-phenanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.720302193 u
Formula C14H6Br4
InChI InChI=1S/C14H6Br4/c15-7-3-11-9(13(17)5-7)1-2-10-12(11)4-8(16)6-14(10)18/h1-6H
InChIKey ULMRAUVYGFUGNB-UHFFFAOYSA-N
Molecular Weight 493.818 g/mol
SMILES C1=2C=3C(=C(Br)C=C(C3)Br)C=CC1=C(Br)C=C(C2)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831233