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(3R)-3-(4-bromophenyl)-2-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3,4-dihydroisoquinolin-1-one
SpectraBase Compound ID LgB9MMlvOYs
InChI InChI=1S/C21H23BrN2O2/c1-26-14-18-6-4-12-23(18)24-20(15-8-10-17(22)11-9-15)13-16-5-2-3-7-19(16)21(24)25/h2-3,5,7-11,18,20H,4,6,12-14H2,1H3/t18-,20+/m0/s1
InChIKey NCYQTRKBMSUSCS-AZUAARDMSA-N
Mol Weight 415.33 g/mol
Molecular Formula C21H23BrN2O2
Exact Mass 414.094291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLeeQYKrrSc
Name (3R)-3-(4-bromophenyl)-2-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3,4-dihydroisoquinolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrN2O2
InChI InChI=1S/C21H23BrN2O2/c1-26-14-18-6-4-12-23(18)24-20(15-8-10-17(22)11-9-15)13-16-5-2-3-7-19(16)21(24)25/h2-3,5,7-11,18,20H,4,6,12-14H2,1H3/t18-,20+/m0/s1
InChIKey NCYQTRKBMSUSCS-AZUAARDMSA-N
Molecular Weight 415.331 g/mol
SMILES C1(N([C@](Cc2ccccc12)(c1ccc(cc1)Br)[H])N1[C@](COC)(CCC1)[H])=O
SPLASH splash10-044i-2729000000-a7627bc582d56625c643
Source of Spectrum C5-2004-2985-3
Synonyms (3R)-3-(4-bromophenyl)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-1-one (3R)-3-(4-bromophenyl)-2-[(2S)-2-(methoxymethyl)pyrrolidino]-3,4-dihydroisocarbostyril
Wiley ID 1617671