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(Z)-N-Acetyl-2-ethoxycarbonyldehydrotryptophan Methyl ester
SpectraBase Compound ID 3bbzcXq2zit
InChI InChI=1S/C17H18N2O5/c1-4-24-17(22)15-12(11-7-5-6-8-13(11)19-15)9-14(16(21)23-3)18-10(2)20/h5-9,19H,4H2,1-3H3,(H,18,20)/b14-9-
InChIKey WFGQDUKZIVPEHL-ZROIWOOFSA-N
Mol Weight 330.34 g/mol
Molecular Formula C17H18N2O5
Exact Mass 330.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nnFxK15BWX
Name (Z)-N-Acetyl-2-ethoxycarbonyldehydrotryptophan Methyl ester
Alternate Name(s) 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid ethyl ester ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-1H-indole-2-carboxylate ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-1H-indole-2-carboxylate ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H18N2O5
InChI InChI=1S/C17H18N2O5/c1-4-24-17(22)15-12(11-7-5-6-8-13(11)19-15)9-14(16(21)23-3)18-10(2)20/h5-9,19H,4H2,1-3H3,(H,18,20)/b14-9-
InChIKey WFGQDUKZIVPEHL-ZROIWOOFSA-N
Molecular Weight 330.340 g/mol
SMILES [nH]1c2c(c(\C=C/(C(=O)OC)NC(=O)C)c1C(=O)OCC)cccc2
SPLASH splash10-001r-0089000000-c08224c12acc9c9d2f24
Source of Spectrum E1-42-836-9
Wiley ID 1552473