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1-[(2-Bromo-phenyl)-(2,2-dimethyl-propionyloxy)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid, ethyl ester
SpectraBase Compound ID RQjZ7mfO42
InChI InChI=1S/C24H28BrNO4/c1-5-29-23(28)26-15-14-16-10-6-7-11-17(16)20(26)21(30-22(27)24(2,3)4)18-12-8-9-13-19(18)25/h6-13,20-21H,5,14-15H2,1-4H3
InChIKey CWZXZRRBBQYQBK-UHFFFAOYSA-N
Mol Weight 474.4 g/mol
Molecular Formula C24H28BrNO4
Exact Mass 473.120171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNodLwSpjTc
Name 1-[(2-Bromo-phenyl)-(2,2-dimethyl-propionyloxy)-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid, ethyl ester
Alternate Name(s) 1-[(2-bromophenyl)-(2,2-dimethyl-1-oxopropoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester 1-[(2-bromophenyl)-pivaloyloxy-methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Ethyl 1-((2-bromophenyl)[(2,2-dimethylpropanoyl)oxy]methyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate Ethyl 1-[(2-bromophenyl)-(2,2-dimethylpropanoyloxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
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Formula C24H28BrNO4
InChI InChI=1S/C24H28BrNO4/c1-5-29-23(28)26-15-14-16-10-6-7-11-17(16)20(26)21(30-22(27)24(2,3)4)18-12-8-9-13-19(18)25/h6-13,20-21H,5,14-15H2,1-4H3
InChIKey CWZXZRRBBQYQBK-UHFFFAOYSA-N
Molecular Weight 474.395 g/mol
SMILES C1(N(CCc2ccccc12)C(=O)OCC)C(OC(C(C)(C)C)=O)c1c(Br)cccc1
SPLASH splash10-0udi-3490000000-239b3ea6e85a55bd9abf
Wiley ID 1486289