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2,7-Dibromo-4,5,9,10-tetrahydropyrene
SpectraBase Compound ID 55xS4yEtILx
InChI InChI=1S/C16H12Br2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h5-8H,1-4H2
InChIKey DECWZAKGNGDEQE-UHFFFAOYSA-N
Mol Weight 364.08 g/mol
Molecular Formula C16H12Br2
Exact Mass 361.930576 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38Zr3NWmA6
Name 2,7-Dibromo-4,5,9,10-tetrahydropyrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.930576386 u
Formula C16H12Br2
InChI InChI=1S/C16H12Br2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h5-8H,1-4H2
InChIKey DECWZAKGNGDEQE-UHFFFAOYSA-N
Molecular Weight 364.080 g/mol
SMILES C12=CC(=CC3=C2C2=C(CC1)C=C(C=C2CC3)Br)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916128