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Diethyl 1-[(2S-carbamoyl-3-phenyl)-propyl]-1H-[1,2,3]triazole-4,5-dicarboxylate
SpectraBase Compound ID 56dpAVZIXOV
InChI InChI=1S/C18H22N4O5/c1-3-26-17(24)14-15(18(25)27-4-2)22(21-20-14)11-13(16(19)23)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H2,19,23)/t13-/m0/s1
InChIKey OBXAJYXJTAGQOL-ZDUSSCGKSA-N
Mol Weight 374.4 g/mol
Molecular Formula C18H22N4O5
Exact Mass 374.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w71XN3O2i
Name Diethyl 1-[(2S-carbamoyl-3-phenyl)-propyl]-1H-[1,2,3]triazole-4,5-dicarboxylate
Alternate Name(s) Diethyl 1-[(2S)-3-amino-2-benzyl-3-oxopropyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O5
InChI InChI=1S/C18H22N4O5/c1-3-26-17(24)14-15(18(25)27-4-2)22(21-20-14)11-13(16(19)23)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H2,19,23)/t13-/m0/s1
InChIKey OBXAJYXJTAGQOL-ZDUSSCGKSA-N
Molecular Weight 374.397 g/mol
SMILES NC([C@](C[n]1c(c(nn1)C(=O)OCC)C(=O)OCC)(Cc1ccccc1)[H])=O
SPLASH splash10-02tc-1900000000-d03c77d5c20b9e91e215
Source of Spectrum QC-17-2375-14
Wiley ID 1638462