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(Z)-N-Acetyl-5-bromo-2-ethoxycarbonyl-5-methoxydehydrotryptophan Methyl ester
SpectraBase Compound ID 4XCo5tZfrEC
InChI InChI=1S/C17H17BrN2O5/c1-4-25-17(23)15-12(8-14(16(22)24-3)19-9(2)21)11-7-10(18)5-6-13(11)20-15/h5-8,20H,4H2,1-3H3,(H,19,21)/b14-8-
InChIKey QXOJBOUHJKAQQL-ZSOIEALJSA-N
Mol Weight 409.24 g/mol
Molecular Formula C17H17BrN2O5
Exact Mass 408.032085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CI9ayxB6Ook
Name (Z)-N-Acetyl-5-bromo-2-ethoxycarbonyl-5-methoxydehydrotryptophan Methyl ester
Alternate Name(s) 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-bromo-1H-indole-2-carboxylic acid ethyl ester Ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-bromo-1H-indole-2-carboxylate Ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-bromo-1H-indole-2-carboxylate Ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-bromanyl-1H-indole-2-carboxylate
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Formula C17H17BrN2O5
InChI InChI=1S/C17H17BrN2O5/c1-4-25-17(23)15-12(8-14(16(22)24-3)19-9(2)21)11-7-10(18)5-6-13(11)20-15/h5-8,20H,4H2,1-3H3,(H,19,21)/b14-8-
InChIKey QXOJBOUHJKAQQL-ZSOIEALJSA-N
Molecular Weight 409.236 g/mol
SMILES [nH]1c2c(c(\C=C/(C(=O)OC)NC(=O)C)c1C(=O)OCC)cc(cc2)Br
SPLASH splash10-014i-0009200000-1ca6088c5fb6d5a9ac80
Source of Spectrum E1-42-836-9
Wiley ID 1552504