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(Z)-N-Acetyl-2-ethoxycarbonyl-5-methoxydehydrotryptophan Methyl ester
SpectraBase Compound ID 4Q4VU3WTwWW
InChI InChI=1S/C18H20N2O6/c1-5-26-18(23)16-13(9-15(17(22)25-4)19-10(2)21)12-8-11(24-3)6-7-14(12)20-16/h6-9,20H,5H2,1-4H3,(H,19,21)/b15-9-
InChIKey JEFKXXUBHNHEFT-DHDCSXOGSA-N
Mol Weight 360.37 g/mol
Molecular Formula C18H20N2O6
Exact Mass 360.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmtfsFz5j2C
Name (Z)-N-Acetyl-2-ethoxycarbonyl-5-methoxydehydrotryptophan Methyl ester
Alternate Name(s) 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-methoxy-1H-indole-2-carboxylate ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-methoxy-1H-indole-2-carboxylate ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-methoxy-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H20N2O6
InChI InChI=1S/C18H20N2O6/c1-5-26-18(23)16-13(9-15(17(22)25-4)19-10(2)21)12-8-11(24-3)6-7-14(12)20-16/h6-9,20H,5H2,1-4H3,(H,19,21)/b15-9-
InChIKey JEFKXXUBHNHEFT-DHDCSXOGSA-N
Molecular Weight 360.366 g/mol
SMILES [nH]1c2c(c(\C=C/(C(=O)OC)NC(=O)C)c1C(=O)OCC)cc(cc2)OC
SPLASH splash10-03k9-0049000000-442c84e45777c1d58594
Source of Spectrum E1-42-836-9
Wiley ID 1552505