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5-(5-benzoxy-2-bromo-4-methoxy-benzyl)-9-methoxy-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline-6-carboxylic acid methyl ester
SpectraBase Compound ID 55u7TuEBXq1
InChI InChI=1S/C28H28BrNO7/c1-32-23-14-21(29)18(12-24(23)35-15-17-7-5-4-6-8-17)11-22-20-13-25-27(37-16-36-25)26(33-2)19(20)9-10-30(22)28(31)34-3/h4-8,12-14,22H,9-11,15-16H2,1-3H3
InChIKey OGNSHMFMYPXGKZ-UHFFFAOYSA-N
Mol Weight 570.44 g/mol
Molecular Formula C28H28BrNO7
Exact Mass 569.104915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8TRr6EMBU8
Name 5-(5-benzoxy-2-bromo-4-methoxy-benzyl)-9-methoxy-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline-6-carboxylic acid methyl ester
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Formula C28H28BrNO7
InChI InChI=1S/C28H28BrNO7/c1-32-23-14-21(29)18(12-24(23)35-15-17-7-5-4-6-8-17)11-22-20-13-25-27(37-16-36-25)26(33-2)19(20)9-10-30(22)28(31)34-3/h4-8,12-14,22H,9-11,15-16H2,1-3H3
InChIKey OGNSHMFMYPXGKZ-UHFFFAOYSA-N
Molecular Weight 570.436 g/mol
SMILES C1(N(CCc2c(c3OCOc3cc12)OC)C(=O)OC)Cc1c(cc(c(c1)OCc1ccccc1)OC)Br
SPLASH splash10-03di-1090000000-07008f625645e0b3ad7e
Source of Spectrum B-53-528-11
Synonyms 5-[(2-bromo-4-methoxy-5-phenylmethoxyphenyl)methyl]-9-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylic acid methyl ester Methyl 5-[(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)methyl]-9-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate Methyl 5-[(2-bromo-4-methoxy-5-phenylmethoxyphenyl)methyl]-9-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate Methyl 5-[(5-benzyloxy-2-bromo-4-methoxy-phenyl)methyl]-9-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate
Wiley ID 746980