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(S)-5-ACETOXYMETHYL-3-FORMYL-1-(4,5-METHYLENEDIOXY-2-NITRO-BENZOYL)-2-PYRROLINE
SpectraBase Compound ID 6swgx000bIV
InChI InChI=1S/C16H14N2O8/c1-9(20)24-7-11-2-10(6-19)5-17(11)16(21)12-3-14-15(26-8-25-14)4-13(12)18(22)23/h3-6,11H,2,7-8H2,1H3/t11-/m0/s1
InChIKey FIMLKQITKHUZEM-NSHDSACASA-N
Mol Weight 362.29 g/mol
Molecular Formula C16H14N2O8
Exact Mass 362.075015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gXrjRtcQIQ
Name (S)-5-ACETOXYMETHYL-3-FORMYL-1-(4,5-METHYLENEDIOXY-2-NITRO-BENZOYL)-2-PYRROLINE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14N2O8
InChI InChI=1S/C16H14N2O8/c1-9(20)24-7-11-2-10(6-19)5-17(11)16(21)12-3-14-15(26-8-25-14)4-13(12)18(22)23/h3-6,11H,2,7-8H2,1H3/t11-/m0/s1
InChIKey FIMLKQITKHUZEM-NSHDSACASA-N
Literature Reference Author N.LANGLOIS,A.ROJAS-ROUSSEAU,C.GASPARD,G.H.WERNER,F.DARRO,R.K ISS
Literature Reference Citation J.MED.CHEM.,44,3754(2001)
Literature Reference DOI 10.1021/jm010937q
Molecular Weight 362.296 g/mol
Sample ID 45138
Solvent CDCl3