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1-(6-Bromo-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 MS (GC)

1-(6-Bromo-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID DTw708FLxPq
InChI InChI=1S/C20H22BrNO4/c1-3-23-16-7-12-5-6-22-20(13(12)8-17(16)24-4-2)14-9-18-19(10-15(14)21)26-11-25-18/h7-10,20,22H,3-6,11H2,1-2H3
InChIKey IFETVFFAKLWDOT-UHFFFAOYSA-N
Mol Weight 420.3 g/mol
Molecular Formula C20H22BrNO4
Exact Mass 419.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMAUFy3Ka72
Name 1-(6-Bromo-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22BrNO4
InChI InChI=1S/C20H22BrNO4/c1-3-23-16-7-12-5-6-22-20(13(12)8-17(16)24-4-2)14-9-18-19(10-15(14)21)26-11-25-18/h7-10,20,22H,3-6,11H2,1-2H3
InChIKey IFETVFFAKLWDOT-UHFFFAOYSA-N
Molecular Weight 420.303 g/mol
SMILES N1CCc2cc(c(cc2C1c1c(cc2c(c1)OCO2)Br)OCC)OCC
SPLASH splash10-00di-9851100000-51d1713de2afcd6a612e
Synonyms 1-(6-bromanyl-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Wiley ID 1459373