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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 2yPmezGQJCS
Name 1-ISOQUINOLINEMETHANOL, alpha-(2-BROMOPHENYL)-2-(2,2-DIMETHYL-1-OXOPROPYL)-1,2,3,4-TETRAHYDRO-, (R*,S*)-(+/-)-
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Formula C21H24NO2Br
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 401.0984
SMILES OC(c1c(Br)cccc1)C1N(C(C(C)(C)C)=O)CCc2c1cccc2
SPLASH splash10-0api-9530000000-e3351f867ace0513efdf
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany