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1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
SpectraBase Compound ID DOVpqCUTxVb
InChI InChI=1S/C19H20BrNO4/c1-21-6-5-11-3-4-15(23-2)19(22)18(11)14(21)7-12-8-16-17(9-13(12)20)25-10-24-16/h3-4,8-9,14,22H,5-7,10H2,1-2H3
InChIKey ZCWVRMVZUVJPFT-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C19H20BrNO4
Exact Mass 405.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TTrTaDIKtz
Name 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
CAS Registry Number 112402-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20BrNO4
InChI InChI=1S/C19H20BrNO4/c1-21-6-5-11-3-4-15(23-2)19(22)18(11)14(21)7-12-8-16-17(9-13(12)20)25-10-24-16/h3-4,8-9,14,22H,5-7,10H2,1-2H3
InChIKey ZCWVRMVZUVJPFT-UHFFFAOYSA-N
Molecular Weight 406.276 g/mol
SMILES Oc1c2C(N(CCc2ccc1OC)C)Cc1c(cc2c(c1)OCO2)Br
SPLASH splash10-002f-0920000000-d6fe2847ccc65d64409e
Source of Spectrum Y-24-316-8
Synonyms 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
Wiley ID 1371687