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1-[5'-Benzyloxy-2'-bromo-4'-(methoxybenzyl)]-5-methoxy-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID Bnr71nPOHcl
InChI InChI=1S/C26H26BrNO5/c1-29-22-13-20(27)17(11-23(22)31-14-16-6-4-3-5-7-16)10-21-19-12-24-26(33-15-32-24)25(30-2)18(19)8-9-28-21/h3-7,11-13,21,28H,8-10,14-15H2,1-2H3
InChIKey WBRAJLZACXCJRR-UHFFFAOYSA-N
Mol Weight 512.4 g/mol
Molecular Formula C26H26BrNO5
Exact Mass 511.099436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4i2U0B5j8Hj
Name 1-[5'-Benzyloxy-2'-bromo-4'-(methoxybenzyl)]-5-methoxy-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26BrNO5
InChI InChI=1S/C26H26BrNO5/c1-29-22-13-20(27)17(11-23(22)31-14-16-6-4-3-5-7-16)10-21-19-12-24-26(33-15-32-24)25(30-2)18(19)8-9-28-21/h3-7,11-13,21,28H,8-10,14-15H2,1-2H3
InChIKey WBRAJLZACXCJRR-UHFFFAOYSA-N
Molecular Weight 512.400 g/mol
SMILES N1CCc2c(C1Cc1c(cc(c(c1)OCc1ccccc1)OC)Br)cc1c(c2OC)OCO1
SPLASH splash10-0a4l-4290000000-39da31353f7b61c02f3c
Source of Spectrum B-53-528-10
Synonyms 1-[5'-Benzyloxy-2'-bromo-4'-(methoxy)]-5-methoxy-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline 5-[(2-bromo-4-methoxy-5-phenylmethoxyphenyl)methyl]-9-methoxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline 5-[(5-benzyloxy-2-bromo-4-methoxy-phenyl)methyl]-9-methoxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline 5-[(2-bromanyl-4-methoxy-5-phenylmethoxy-phenyl)methyl]-9-methoxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Wiley ID 746981