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6,8-Dibenzyloxy-1,3-dimethylisoquinoline-5-boronic acid
SpectraBase Compound ID DjaHWlSGOwd
InChI InChI=1S/C25H24BNO4/c1-17-13-21-24(18(2)27-17)22(30-15-19-9-5-3-6-10-19)14-23(25(21)26(28)29)31-16-20-11-7-4-8-12-20/h3-14,28-29H,15-16H2,1-2H3
InChIKey KHBRAAUTCXFFDX-UHFFFAOYSA-N
Mol Weight 413.3 g/mol
Molecular Formula C25H24BNO4
Exact Mass 413.179838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNUm8OqzHhn
Name 6,8-Dibenzyloxy-1,3-dimethylisoquinoline-5-boronic acid
Alternate Name(s) 6,8-bis(benzyloxy)-1,3-dimethyl-5-isoquinolinylboronic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24BNO4
InChI InChI=1S/C25H24BNO4/c1-17-13-21-24(18(2)27-17)22(30-15-19-9-5-3-6-10-19)14-23(25(21)26(28)29)31-16-20-11-7-4-8-12-20/h3-14,28-29H,15-16H2,1-2H3
InChIKey KHBRAAUTCXFFDX-UHFFFAOYSA-N
Molecular Weight 413.280 g/mol
SMILES OB(c1c2c(c(C)nc(c2)C)c(cc1OCc1ccccc1)OCc1ccccc1)O
SPLASH splash10-0006-9001000000-49d978d0b928c38341d2
Source of Spectrum F-55-1737-8
Wiley ID 836737