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METHYL-(3',6'-DIOXOCYCLOHEXA-1',4'-DIENYL)-(3''-OXOPIPERAZIN-2''-YLIDENE)-ACETATE
SpectraBase Compound ID HUjeKYjBw0m
InChI InChI=1S/C13H12N2O5/c1-20-13(19)10(11-12(18)15-5-4-14-11)8-6-7(16)2-3-9(8)17/h2-3,6,14H,4-5H2,1H3,(H,15,18)/b11-10+
InChIKey WEVDOUHFBLPRRY-ZHACJKMWSA-N
Mol Weight 276.25 g/mol
Molecular Formula C13H12N2O5
Exact Mass 276.074621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67Geln2ea08
Name METHYL-(3',6'-DIOXOCYCLOHEXA-1',4'-DIENYL)-(3''-OXOPIPERAZIN-2''-YLIDENE)-ACETATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2O5
InChI InChI=1S/C13H12N2O5/c1-20-13(19)10(11-12(18)15-5-4-14-11)8-6-7(16)2-3-9(8)17/h2-3,6,14H,4-5H2,1H3,(H,15,18)/b11-10+
InChIKey WEVDOUHFBLPRRY-ZHACJKMWSA-N
Literature Reference Author R.W.PARR,J.A.REISS
Literature Reference Citation AUSTR.J.CHEM.,37,1263(1984)
Literature Reference DOI 10.1071/ch9841263
Molecular Weight 276.249 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWCS9741