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(E)-BUT-2-ENEDIOIC_ACID_2,5-DIOXO-PYRROLIDIN-1-YL_ESTER_METHYLESTER
SpectraBase Compound ID RtXVsPvTNi
InChI InChI=1S/C9H9NO6/c1-15-8(13)4-5-9(14)16-10-6(11)2-3-7(10)12/h4-5H,2-3H2,1H3/b5-4+
InChIKey HCMATKKCKGLMEQ-SNAWJCMRSA-N
Mol Weight 227.17 g/mol
Molecular Formula C9H9NO6
Exact Mass 227.042987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RovLdrMAwp
Name (E)-BUT-2-ENEDIOIC_ACID_2,5-DIOXO-PYRROLIDIN-1-YL_ESTER_METHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9NO6
InChI InChI=1S/C9H9NO6/c1-15-8(13)4-5-9(14)16-10-6(11)2-3-7(10)12/h4-5H,2-3H2,1H3/b5-4+
InChIKey HCMATKKCKGLMEQ-SNAWJCMRSA-N
Literature Reference Author R.A.DAVIS
Literature Reference Citation J.NAT.PROD.,68,769(2005)
Literature Reference DOI 10.1021/np050025h
Molecular Weight 227.174 g/mol
Solvent DMSO-D6
Source File Reference UWMZ10271