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(Z)-N-Tert-butoxycarbonyl-2-ethoxycarbonyldehydrotryptophan methyl ester
SpectraBase Compound ID KP8pftet8sC
InChI InChI=1S/C20H24N2O6/c1-6-27-18(24)16-13(12-9-7-8-10-14(12)21-16)11-15(17(23)26-5)22-19(25)28-20(2,3)4/h7-11,21H,6H2,1-5H3,(H,22,25)/b15-11-
InChIKey TXNUQYKEGANUIQ-PTNGSMBKSA-N
Mol Weight 388.42 g/mol
Molecular Formula C20H24N2O6
Exact Mass 388.163436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5jyAprsHPq
Name (Z)-N-Tert-butoxycarbonyl-2-ethoxycarbonyldehydrotryptophan methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.163436495 u
Formula C20H24N2O6
InChI InChI=1S/C20H24N2O6/c1-6-27-18(24)16-13(12-9-7-8-10-14(12)21-16)11-15(17(23)26-5)22-19(25)28-20(2,3)4/h7-11,21H,6H2,1-5H3,(H,22,25)/b15-11-
InChIKey TXNUQYKEGANUIQ-PTNGSMBKSA-N
Molecular Weight 388.420 g/mol
SMILES C1(=C(NC=2C1=CC=CC2)C(=O)OCC)\C=C\(NC(OC(C)(C)C)=O)C(=O)OC