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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 CKASbXZUJTD
Name 1-[(2-BROMO-PHENYL)-(2,2-DIMETHYLPROPIONYLOXY)-METHYL]-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID, ETHYL ESTER
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Formula C24H28NO4Br
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 473.1194
SMILES c12CCN(C(OCC)=O)C(C(OC(C(C)(C)C)=O)c3ccccc3Br)c2cccc1
SPLASH splash10-0udi-3490000000-32ac8cd616d41edee88b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany