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Diisopropyl (E)-2-{[benzoyl(tert-butyl)amino]carbonyl}-2-butenedioate
SpectraBase Compound ID 7g2lCcjDGhP
InChI InChI=1S/C22H29NO6/c1-14(2)28-18(24)13-17(21(27)29-15(3)4)20(26)23(22(5,6)7)19(25)16-11-9-8-10-12-16/h8-15H,1-7H3/b17-13+
InChIKey UQDQGNROCLARLC-GHRIWEEISA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMeNBYccL7C
Name Diisopropyl (E)-2-{[benzoyl(tert-butyl)amino]carbonyl}-2-butenedioate
Alternate Name(s) diisopropyl (2E)-2-{[benzoyl(tert-butyl)amino]carbonyl}-2-butenedioate
Comments Removed - expert review: contamination (DOP); A corrected record has been addded having SpectrumID: 1821475
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-14(2)28-18(24)13-17(21(27)29-15(3)4)20(26)23(22(5,6)7)19(25)16-11-9-8-10-12-16/h8-15H,1-7H3/b17-13+
InChIKey UQDQGNROCLARLC-GHRIWEEISA-N
Molecular Weight 403.475 g/mol
SMILES C(\C(=C\C(=O)OC(C)C)C(=O)N(C(C)(C)C)C(c1ccccc1)=O)(=O)OC(C)C
SPLASH splash10-052e-8900000000-88c11576afc1fc9e33bb
Source of Spectrum F-62-5643-3
Wiley ID 1633524