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Triethyl 5-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-1,4,4-tricarboxylate
SpectraBase Compound ID LRPhu0CJoWs
InChI InChI=1S/C17H20N4O8/c1-4-27-14(22)17(15(23)28-5-2)13(20(19-18-17)16(24)29-6-3)11-7-9-12(10-8-11)21(25)26/h7-10,13H,4-6H2,1-3H3
InChIKey PDYJRAGHXZKQNY-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C17H20N4O8
Exact Mass 408.128114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqNZCWOUUN5
Name Triethyl 5-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-1,4,4-tricarboxylate
Alternate Name(s) Triethyl 5-(4-nitrophenyl)-1H-1,2,3-triazole-1,4,4(5H)-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O8
InChI InChI=1S/C17H20N4O8/c1-4-27-14(22)17(15(23)28-5-2)13(20(19-18-17)16(24)29-6-3)11-7-9-12(10-8-11)21(25)26/h7-10,13H,4-6H2,1-3H3
InChIKey PDYJRAGHXZKQNY-UHFFFAOYSA-N
Molecular Weight 408.367 g/mol
SMILES C1(N=NN(C1c1ccc(N(=O)=O)cc1)C(=O)OCC)(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-2900000000-36e862c1f55dec475834
Source of Spectrum B-47-1375-0
Wiley ID 1372765