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5-Bromo-3-[(2E)-3-ethoxy-2-methoxyimino-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester
SpectraBase Compound ID 2EwyOindM5e
InChI InChI=1S/C19H23BrN2O5/c1-6-26-17(23)15(21-25-5)9-12-11-22(18(24)27-19(2,3)4)16-8-7-13(20)10-14(12)16/h7-8,10-11H,6,9H2,1-5H3/b21-15+
InChIKey FPTLZLXNGJHYDX-RCCKNPSSSA-N
Mol Weight 439.31 g/mol
Molecular Formula C19H23BrN2O5
Exact Mass 438.079035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDI35WEyWT7
Name 5-Bromo-3-[(2E)-3-ethoxy-2-methoxyimino-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester
Alternate Name(s) 5-Bromo-3-[(2E)-3-ethoxy-3-keto-2-methyloximino-propyl]indole-1-carboxylic acid tert-butyl ester tert-Butyl 5-bromanyl-3-[(2E)-3-ethoxy-2-methoxyimino-3-oxidanylidene-propyl]indole-1-carboxylate tert-Butyl 5-bromo-3-[(2E)-3-ethoxy-2-methoxyimino-3-oxo-propyl]indole-1-carboxylate
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Formula C19H23BrN2O5
InChI InChI=1S/C19H23BrN2O5/c1-6-26-17(23)15(21-25-5)9-12-11-22(18(24)27-19(2,3)4)16-8-7-13(20)10-14(12)16/h7-8,10-11H,6,9H2,1-5H3/b21-15+
InChIKey FPTLZLXNGJHYDX-RCCKNPSSSA-N
Molecular Weight 439.306 g/mol
SMILES C([n]1cc(C\C(C(=O)OCC)=N/OC)c2c1ccc(Br)c2)(OC(C)(C)C)=O
SPLASH splash10-0a4i-4069100000-e4d9ce3ec02a8ec91297
Source of Spectrum F-52-14984-15
Wiley ID 799746