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1,4-Bis(bromomethyl)triphenylene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,4-Bis(bromomethyl)triphenylene
SpectraBase Compound ID 5pVXnJTkaCF
InChI InChI=1S/C20H14Br2/c21-11-13-9-10-14(12-22)20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(13)20/h1-10H,11-12H2
InChIKey HYJYRRDMXYMIEN-UHFFFAOYSA-N
Mol Weight 414.14 g/mol
Molecular Formula C20H14Br2
Exact Mass 411.946226 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CVJvuEv8i0n
Name 1,4-bis(Bromomethyl)triphenylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.946226451 u
Formula C20H14Br2
InChI InChI=1S/C20H14Br2/c21-11-13-9-10-14(12-22)20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(13)20/h1-10H,11-12H2
InChIKey HYJYRRDMXYMIEN-UHFFFAOYSA-N
Molecular Weight 414.140 g/mol
SMILES C12=C(C3=CC=CC=C3C=3C2=CC=CC3)C(CBr)=CC=C1CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918668