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1,4-Naphthalenediol, 6,7-di(bromomethyl)-5,8-dihydro

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1,4-Naphthalenediol, 6,7-di(bromomethyl)-5,8-dihydro
SpectraBase Compound ID 68UT4U6cJ73
InChI InChI=1S/C12H12Br2O2/c13-5-7-3-9-10(4-8(7)6-14)12(16)2-1-11(9)15/h1-2,15-16H,3-6H2
InChIKey DXVQMXYHDLCHGI-UHFFFAOYSA-N
Mol Weight 348.03 g/mol
Molecular Formula C12H12Br2O2
Exact Mass 345.920406 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IjrrOzDuYxV
Name 1,4-Naphthalenediol, 6,7-di(bromomethyl)-5,8-dihydro
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.920405624 u
Formula C12H12Br2O2
InChI InChI=1S/C12H12Br2O2/c13-5-7-3-9-10(4-8(7)6-14)12(16)2-1-11(9)15/h1-2,15-16H,3-6H2
InChIKey DXVQMXYHDLCHGI-UHFFFAOYSA-N
Molecular Weight 348.034 g/mol
SMILES C1(O)=CC=C(C2=C1CC(CBr)=C(CBr)C2)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915995