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(1,3)-Diethyl - (5)-Isobutyl 3-(p-nitrophenyl)-1,3,5-pentanetricarboxylate
SpectraBase Compound ID 7bkzUY5wLWN
InChI InChI=1S/C22H31NO8/c1-5-29-19(24)11-13-22(21(26)30-6-2,14-12-20(25)31-15-16(3)4)17-7-9-18(10-8-17)23(27)28/h7-10,16H,5-6,11-15H2,1-4H3
InChIKey FIBUDFHEAVQQSC-UHFFFAOYSA-N
Mol Weight 437.49 g/mol
Molecular Formula C22H31NO8
Exact Mass 437.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDzPzXz1rsr
Name (1,3)-Diethyl - (5)-Isobutyl 3-(p-nitrophenyl)-1,3,5-pentanetricarboxylate
Alternate Name(s) 1,3-Diethyl 5-isobutyl 3-(4-nitrophenyl)-1,3,5-pentanetricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO8
InChI InChI=1S/C22H31NO8/c1-5-29-19(24)11-13-22(21(26)30-6-2,14-12-20(25)31-15-16(3)4)17-7-9-18(10-8-17)23(27)28/h7-10,16H,5-6,11-15H2,1-4H3
InChIKey FIBUDFHEAVQQSC-UHFFFAOYSA-N
Molecular Weight 437.489 g/mol
SMILES c1(N(=O)=O)ccc(C(C(=O)OCC)(CCC(=O)OCC)CCC(=O)OCC(C)C)cc1
SPLASH splash10-00ko-0391000000-fb20152ad57c74e5de21
Source of Spectrum AH-134-532-3
Wiley ID 1546845