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Benzo[h]dinaphtho[2,1-b:1',2'-d][1,6]dioxecin, 15,18-dibromo-4,9-dihydro-
SpectraBase Compound ID 61vrHcqfUlr
InChI InChI=1S/C28H18Br2O2/c29-21-9-5-17-7-11-25-27(23(17)13-21)28-24-14-22(30)10-6-18(24)8-12-26(28)32-16-20-4-2-1-3-19(20)15-31-25/h1-14H,15-16H2
InChIKey ZNBFNXBNPYVHNF-UHFFFAOYSA-N
Mol Weight 546.26 g/mol
Molecular Formula C28H18Br2O2
Exact Mass 543.967356 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID uyQWwezksp
Name Benzo[H]dinaphtho[2,1-B:1',2'-D][1,6]dioxecin, 15,18-dibromo-4,9-dihydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.967355818 u
Formula C28H18Br2O2
InChI InChI=1S/C28H18Br2O2/c29-21-9-5-17-7-11-25-27(23(17)13-21)28-24-14-22(30)10-6-18(24)8-12-26(28)32-16-20-4-2-1-3-19(20)15-31-25/h1-14H,15-16H2
InChIKey ZNBFNXBNPYVHNF-UHFFFAOYSA-N
Molecular Weight 546.258 g/mol
SMILES C1=2C(=CC=C(C2)Br)C=CC2=C1C1=C(C=CC=3C1=CC(Br)=CC3)OCC=1C(CO2)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924728