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N-(2,2-Dichloro-3-methylbutanoyl)tryptophan methyl ester
SpectraBase Compound ID E2kzP54L2pc
InChI InChI=1S/C17H20Cl2N2O3/c1-10(2)17(18,19)16(23)21-14(15(22)24-3)8-11-9-20-13-7-5-4-6-12(11)13/h4-7,9-10,14,20H,8H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKey RFNDZONDNFOHGW-AWEZNQCLSA-N
Mol Weight 371.26 g/mol
Molecular Formula C17H20Cl2N2O3
Exact Mass 370.085098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jtLlcvEBEw
Name N-(2,2-Dichloro-3-methylbutanoyl)tryptophan methyl ester
Alternate Name(s) (S)-N-(2,2-Dichloro-3-methylbutanoyl)tryptophan methyl ester Methyl (2S)-2-[(2,2-dichloro-3-methylbutanoyl)amino]-3-(1H-indol-3-yl)propanoate
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Formula C17H20Cl2N2O3
InChI InChI=1S/C17H20Cl2N2O3/c1-10(2)17(18,19)16(23)21-14(15(22)24-3)8-11-9-20-13-7-5-4-6-12(11)13/h4-7,9-10,14,20H,8H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKey RFNDZONDNFOHGW-AWEZNQCLSA-N
Molecular Weight 371.264 g/mol
SMILES N(C(C(Cl)(Cl)C(C)C)=O)[C@@](Cc1c[nH]c2c1cccc2)(C(=O)OC)[H]
SPLASH splash10-001i-0910000000-8c4d7ce32e6189d63e34
Source of Spectrum KC-1992-827-13
Wiley ID 776212