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5-Bromo-6,8-dibenzyloxy-1,3-dimethylisoquinoline
SpectraBase Compound ID AI4tpSMx0vQ
InChI InChI=1S/C25H22BrNO2/c1-17-13-21-24(18(2)27-17)22(28-15-19-9-5-3-6-10-19)14-23(25(21)26)29-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKey QTNWUIKIBWSIEE-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C25H22BrNO2
Exact Mass 447.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiwcXQj6Tyh
Name 5-Bromo-6,8-dibenzyloxy-1,3-dimethylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22BrNO2
InChI InChI=1S/C25H22BrNO2/c1-17-13-21-24(18(2)27-17)22(28-15-19-9-5-3-6-10-19)14-23(25(21)26)29-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKey QTNWUIKIBWSIEE-UHFFFAOYSA-N
Molecular Weight 448.360 g/mol
SMILES c12c(c(Br)c(cc2OCc2ccccc2)OCc2ccccc2)cc(nc1C)C
SPLASH splash10-0006-9000000000-11595928476ef55e5b2b
Source of Spectrum F-55-1737-7
Synonyms 6,8-bis(benzyloxy)-5-bromo-1,3-dimethylisoquinoline
Wiley ID 836738