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5-(4-nitrophenyl)-1,2,4-triazolidine-1,2,3,3-tetracarboxylic acid tetraethyl ester
SpectraBase Compound ID 647zgv7Q4yw
InChI InChI=1S/C20H26N4O10/c1-5-31-16(25)20(17(26)32-6-2)21-15(13-9-11-14(12-10-13)24(29)30)22(18(27)33-7-3)23(20)19(28)34-8-4/h9-12,15,21H,5-8H2,1-4H3
InChIKey GEZOAHMVQZADLU-UHFFFAOYSA-N
Mol Weight 482.45 g/mol
Molecular Formula C20H26N4O10
Exact Mass 482.164893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GanZVpFvNG
Name 5-(4-nitrophenyl)-1,2,4-triazolidine-1,2,3,3-tetracarboxylic acid tetraethyl ester
Alternate Name(s) Tetraethyl 5-(4-nitrophenyl)-1,2,4-triazolidine-1,2,3,3-tetracarboxylate
CAS Registry Number 125660-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N4O10
InChI InChI=1S/C20H26N4O10/c1-5-31-16(25)20(17(26)32-6-2)21-15(13-9-11-14(12-10-13)24(29)30)22(18(27)33-7-3)23(20)19(28)34-8-4/h9-12,15,21H,5-8H2,1-4H3
InChIKey GEZOAHMVQZADLU-UHFFFAOYSA-N
Molecular Weight 482.446 g/mol
SMILES N1C(N(N(C1(C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)c1ccc(N(=O)=O)cc1
SPLASH splash10-052r-0009000000-bebdff1d46ddcbbb9a37
Source of Spectrum F-45-4666-26
Wiley ID 1395518