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1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline
SpectraBase Compound ID JdsjI2ZdvrQ
InChI InChI=1S/C25H20BrNO4/c1-28-21-8-7-17-9-10-27-20(11-18-12-22-23(13-19(18)26)31-15-30-22)24(17)25(21)29-14-16-5-3-2-4-6-16/h2-10,12-13H,11,14-15H2,1H3
InChIKey CFFXSRUDXCHKQM-UHFFFAOYSA-N
Mol Weight 478.34 g/mol
Molecular Formula C25H20BrNO4
Exact Mass 477.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdrqRpp4wFM
Name 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline
Alternate Name(s) 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline 8-Benzoxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-isoquinoline
CAS Registry Number 86817-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20BrNO4
InChI InChI=1S/C25H20BrNO4/c1-28-21-8-7-17-9-10-27-20(11-18-12-22-23(13-19(18)26)31-15-30-22)24(17)25(21)29-14-16-5-3-2-4-6-16/h2-10,12-13H,11,14-15H2,1H3
InChIKey CFFXSRUDXCHKQM-UHFFFAOYSA-N
Molecular Weight 478.342 g/mol
SMILES c1(c2c(OCc3ccccc3)c(OC)ccc2ccn1)Cc1c(cc2c(c1)OCO2)Br
SPLASH splash10-052b-2019000000-f653b8b13a5b496e40eb
Source of Spectrum Y-24-316-5
Wiley ID 1394522