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(E)-1-Ethyl-4,4-dimethyl-5-(tert-butoxycarbonylamino)-5-phenylpent-1-ene-1,4,4-tricarboxylate
SpectraBase Compound ID 7L4BH1WFqiZ
InChI InChI=1S/C23H31NO8/c1-7-31-17(25)14-11-15-23(19(26)29-5,20(27)30-6)18(16-12-9-8-10-13-16)24-21(28)32-22(2,3)4/h8-14,18H,7,15H2,1-6H3,(H,24,28)/b14-11+
InChIKey GOQUROFKZMLNRH-SDNWHVSQSA-N
Mol Weight 449.5 g/mol
Molecular Formula C23H31NO8
Exact Mass 449.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6n82OyTMZDZ
Name (E)-1-Ethyl-4,4-dimethyl-5-(tert-butoxycarbonylamino)-5-phenylpent-1-ene-1,4,4-tricarboxylate
Alternate Name(s) (E)-1-ethyl 4,4-dimethyl 5-((tert-butoxycarbonyl)amino)-5-phenylpent-1-ene-1,4,4-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO8
InChI InChI=1S/C23H31NO8/c1-7-31-17(25)14-11-15-23(19(26)29-5,20(27)30-6)18(16-12-9-8-10-13-16)24-21(28)32-22(2,3)4/h8-14,18H,7,15H2,1-6H3,(H,24,28)/b14-11+
InChIKey GOQUROFKZMLNRH-SDNWHVSQSA-N
Literature Reference DOI 10.1002/adsc.201000658
Molecular Weight 449.500 g/mol
SMILES N(C(=O)OC(C)(C)C)C(C(C\C=C\C(OCC)=O)(C(OC)=O)C(OC)=O)c1ccccc1
SPLASH splash10-0a4i-2931000000-56f167587c272b89825d
Source of Spectrum ASC-352-2863/SM10-3d
Wiley ID 1764117