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Diethyl 5-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4,4-dicarboxylate
SpectraBase Compound ID 1uiY4cJUYJn
InChI InChI=1S/C14H16N4O6/c1-3-23-12(19)14(13(20)24-4-2)11(15-17-16-14)9-5-7-10(8-6-9)18(21)22/h5-8,11H,3-4H2,1-2H3,(H,15,16)
InChIKey VRSIECLPIWDMJN-UHFFFAOYSA-N
Mol Weight 336.3 g/mol
Molecular Formula C14H16N4O6
Exact Mass 336.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFnIo5TPyAP
Name Diethyl 5-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4,4-dicarboxylate
Alternate Name(s) Diethyl 5-(4-nitrophenyl)-1,5-dihydro-4H-1,2,3-triazole-4,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O6
InChI InChI=1S/C14H16N4O6/c1-3-23-12(19)14(13(20)24-4-2)11(15-17-16-14)9-5-7-10(8-6-9)18(21)22/h5-8,11H,3-4H2,1-2H3,(H,15,16)
InChIKey VRSIECLPIWDMJN-UHFFFAOYSA-N
Molecular Weight 336.304 g/mol
SMILES N1N=NC(C1c1ccc(N(=O)=O)cc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0ufr-3910000000-e47e3b0ad325ce2e33b1
Source of Spectrum B-47-1375-0
Wiley ID 1332079