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(S)-Methyl-2-(2-bromoacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SpectraBase Compound ID 4rMWyK20ANF
InChI InChI=1S/C13H14BrNO3/c1-18-13(17)11-6-9-4-2-3-5-10(9)8-15(11)12(16)7-14/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKey QPMKFQGTNNAUSI-NSHDSACASA-N
Mol Weight 312.16 g/mol
Molecular Formula C13H14BrNO3
Exact Mass 311.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJIYqriCHNN
Name (S)-Methyl-2-(2-bromoacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Alternate Name(s) Methyl (3S)-2-(bromoacetyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
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Formula C13H14BrNO3
InChI InChI=1S/C13H14BrNO3/c1-18-13(17)11-6-9-4-2-3-5-10(9)8-15(11)12(16)7-14/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKey QPMKFQGTNNAUSI-NSHDSACASA-N
Molecular Weight 312.163 g/mol
SMILES [C@]1(N(Cc2c(C1)cccc2)C(=O)CBr)(C(=O)OC)[H]
SPLASH splash10-001i-0930000000-a8a7514eb655cf5820da
Source of Spectrum F-62-4416-4
Wiley ID 1633295