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3-BENZYLAMINO-4-METHOXYCYCLOBUT-3-ENE-1,2-DIONE
SpectraBase Compound ID CcU5652bA46
InChI InChI=1S/C12H11NO3/c1-16-12-9(10(14)11(12)15)13-7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKey NFAHWDRKNHWFQR-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELruC51FIqF
Name 3-BENZYLAMINO-4-METHOXYCYCLOBUT-3-ENE-1,2-DIONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-16-12-9(10(14)11(12)15)13-7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKey NFAHWDRKNHWFQR-UHFFFAOYSA-N
Literature Reference Author N.C.LIM,M.D.MORTON,H.A.JENKINS,C.BRUECKNER
Literature Reference Citation J.ORG.CHEM.,68,9233(2003)
Literature Reference DOI 10.1021/jo035175g
Molecular Weight 217.224 g/mol
Solvent DMSO-D6
Source File Reference UWSI22765