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DL-Tryptophan, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-, methyl ester, (E)-
SpectraBase Compound ID D2MZOUL6QZu
InChI InChI=1S/C20H21N3O4/c1-12-19(25)16(14(11-24)9-21-12)10-23-18(20(26)27-2)7-13-8-22-17-6-4-3-5-15(13)17/h3-6,8-10,18,22,24-25H,7,11H2,1-2H3/b23-10+
InChIKey SZNGDTDXVMJWPK-AUEPDCJTSA-N
Mol Weight 367.41 g/mol
Molecular Formula C20H21N3O4
Exact Mass 367.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7H9fmaakT9
Name DL-Tryptophan, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-, methyl ester, (E)-
Alternate Name(s) Methyl 2-({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)-3-(1H-indol-3-yl)propanoate N-pyridoxylidenetryptophan methyl ester
CAS Registry Number 122886-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O4
InChI InChI=1S/C20H21N3O4/c1-12-19(25)16(14(11-24)9-21-12)10-23-18(20(26)27-2)7-13-8-22-17-6-4-3-5-15(13)17/h3-6,8-10,18,22,24-25H,7,11H2,1-2H3/b23-10+
InChIKey SZNGDTDXVMJWPK-AUEPDCJTSA-N
Molecular Weight 367.405 g/mol
SMILES [nH]1c2c(c(CC(\N=C\c3c(c(ncc3CO)C)O)C(=O)OC)c1)cccc2
SPLASH splash10-001i-0910000000-ecb108183e5d99d5f8ce
Source of Spectrum F-44-7290-0
Wiley ID 1352551