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syn-1-(8'-(Benzyloxy)-7'-bromoquinoline-2'-yl)-1-hydroxyimino-1-(7',8'-dimethoxy-2'-oxo-2'H-1'-benzopyran-3'-yl)methane
SpectraBase Compound ID BqV4CXMdcBU
InChI InChI=1S/C28H21BrN2O6/c1-34-22-13-10-18-14-19(28(32)37-25(18)27(22)35-2)24(31-33)21-12-9-17-8-11-20(29)26(23(17)30-21)36-15-16-6-4-3-5-7-16/h3-14,33H,15H2,1-2H3/b31-24+
InChIKey ZMZQGXSDQVYEOH-QFMPWRQOSA-N
Mol Weight 561.39 g/mol
Molecular Formula C28H21BrN2O6
Exact Mass 560.058299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRUsAJCdAk7
Name syn-1-(8'-(Benzyloxy)-7'-bromoquinoline-2'-yl)-1-hydroxyimino-1-(7',8'-dimethoxy-2'-oxo-2'H-1'-benzopyran-3'-yl)methane
Alternate Name(s) anti-1-(8'-(Benzyloxy)-7'-bromoquinoline-2'-yl)-1-hydroxyimino-1-(7',8'-dimethoxy-2'-oxo-2'H-1'-benzopyran-3'-yl)methane 3-[(E)-[8-(benzyloxy)-7-bromo-2-quinolinyl](hydroxyimino)methyl]-7,8-dimethoxy-2H-chromen-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21BrN2O6
InChI InChI=1S/C28H21BrN2O6/c1-34-22-13-10-18-14-19(28(32)37-25(18)27(22)35-2)24(31-33)21-12-9-17-8-11-20(29)26(23(17)30-21)36-15-16-6-4-3-5-7-16/h3-14,33H,15H2,1-2H3/b31-24+
InChIKey ZMZQGXSDQVYEOH-QFMPWRQOSA-N
Molecular Weight 561.388 g/mol
SMILES O\N=C/(C=1C(Oc2c(C1)ccc(OC)c2OC)=O)c1nc2c(OCc3ccccc3)c(Br)ccc2cc1
SPLASH splash10-0006-9000000000-54279f1b7d20de54e0b2
Source of Spectrum C-115-10739-10
Wiley ID 1406724