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N-ACETYL-TRYPTOPHAN-METHYLESTER

View entire compound with spectra: 2 NMR, and 2 MS (GC)

N-ACETYL-TRYPTOPHAN-METHYLESTER
SpectraBase Compound ID 8R29cNiMbA9
InChI InChI=1S/C14H16N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKey XZECNVJPYDPBAM-ZDUSSCGKSA-N
Mol Weight 260.29 g/mol
Molecular Formula C14H16N2O3
Exact Mass 260.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18531VQPGUF
Name (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid methyl ester
Alternate Name(s) (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid methyl ester Methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CAS Registry Number 2824-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3
InChI InChI=1S/C14H16N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKey XZECNVJPYDPBAM-ZDUSSCGKSA-N
Molecular Weight 260.293 g/mol
SMILES [nH]1c2c(c(C[C@@](C(=O)OC)(NC(=O)C)[H])c1)cccc2
SPLASH splash10-001i-0910000000-df5f40a0df042029788a
Source of Spectrum JC-596-296-1
Wiley ID 1263655