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1-Isoquinolinemethanol, .alpha.-(2-bromophenyl)-2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-, (R*,S*)-(.+-.)-
SpectraBase Compound ID AXaLyNHyC52
InChI InChI=1S/C21H24BrNO2/c1-21(2,3)20(25)23-13-12-14-8-4-5-9-15(14)18(23)19(24)16-10-6-7-11-17(16)22/h4-11,18-19,24H,12-13H2,1-3H3
InChIKey LEQMNRHYWYAOGG-UHFFFAOYSA-N
Mol Weight 402.33 g/mol
Molecular Formula C21H24BrNO2
Exact Mass 401.099042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTBAfcVxHeA
Name 1-Isoquinolinemethanol, .alpha.-(2-bromophenyl)-2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-, (R*,S*)-(.+-.)-
CAS Registry Number 114621-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24BrNO2
InChI InChI=1S/C21H24BrNO2/c1-21(2,3)20(25)23-13-12-14-8-4-5-9-15(14)18(23)19(24)16-10-6-7-11-17(16)22/h4-11,18-19,24H,12-13H2,1-3H3
InChIKey LEQMNRHYWYAOGG-UHFFFAOYSA-N
Molecular Weight 402.332 g/mol
SMILES OC(C1c2ccccc2CCN1C(=O)C(C)(C)C)c1ccccc1Br
SPLASH splash10-05o0-9850000000-3f170ff4257accf7bcfe
Source of Spectrum H-70-1369-9
Synonyms (2-Bromophenyl)[2-(2,2-dimethylpropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methanol 1-[1-[(2-bromophenyl)-hydroxy-methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one 1-[1-[(2-bromophenyl)-hydroxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone 1-[1-[(2-bromophenyl)-oxidanyl-methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one
Wiley ID 1369964