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(3R)-3-(2-bromophenyl)-2-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3,4-dihydroisoquinolin-1-one
SpectraBase Compound ID EkOElfqotXr
InChI InChI=1S/C21H23BrN2O2/c1-26-14-16-8-6-12-23(16)24-20(18-10-4-5-11-19(18)22)13-15-7-2-3-9-17(15)21(24)25/h2-5,7,9-11,16,20H,6,8,12-14H2,1H3/t16-,20+/m0/s1
InChIKey YSBRPFBRUAIQIO-OXJNMPFZSA-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 EKwTVCF8tcV
Name (3R)-3-(2-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/c1-26-14-16-8-6-12-23(16)24-20(18-10-4-5-11-19(18)22)13-15-7-2-3-9-17(15)21(24)25/h2-5,7,9-11,16,20H,6,8,12-14H2,1H3/t16-,20+/m0/s1
InChIKey YSBRPFBRUAIQIO-OXJNMPFZSA-N
Molecular Weight 415.331 g/mol
SMILES C1(N([C@](Cc2ccccc12)(c1c(cccc1)Br)[H])N1[C@@](CCC1)(COC)[H])=O
SPLASH splash10-02mi-0309000000-651c0f8b8f7205b5cb94
Source of Spectrum F-70-9492-16
Synonyms (3R)-3-(2-bromophenyl)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-1-one (3R)-3-(2-bromophenyl)-2-[(2S)-2-(methoxymethyl)pyrrolidino]-3,4-dihydroisocarbostyril
Wiley ID 1597879