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N-carboxy-L-histidine, N-benzyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 MS (GC)

N-carboxy-L-histidine, N-benzyl ester
SpectraBase Compound ID JZ6FUO9S8rp
InChI InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)
InChIKey WCOJOHPAKJFUDF-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C14H15N3O4
Exact Mass 289.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4I0mFihyj7
Name N-[(Benzyloxy)carbonyl]histidine
Alternate Name(s) .alpha.-N-Cbz-dl-histidine Carbobenzoxy-dl-histidine N-Cbz-dl-histidine 2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid 3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CAS Registry Number 19728-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O4
InChI InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)
InChIKey WCOJOHPAKJFUDF-UHFFFAOYSA-N
Molecular Weight 289.291 g/mol
SMILES N(C(OCc1ccccc1)=O)C(Cc1nc[nH]c1)C(=O)O
SPLASH splash10-0a7i-9300000000-4617d7d774fc29b062fb
Source of Spectrum NP-9-4434-0
Wiley ID 1108122