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OXA-CYCLO-ACID
SpectraBase Compound ID AfedpBNZYuy
InChI InChI=1S/C17H19N3O6/c1-16(14(22)23)13(21)20-17(25,26-16)12-8-5-9-18(12)15(24)19(20)10-11-6-3-2-4-7-11/h2-4,6-7,12,25H,5,8-10H2,1H3,(H,22,23)/t12-,16+,17-/m0/s1
InChIKey LVWZYTSWXJLNFR-VUCTXSBTSA-N
Mol Weight 361.35 g/mol
Molecular Formula C17H19N3O6
Exact Mass 361.127385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeJxoAPHdg7
Name OXA-CYCLO-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N3O6
InChI InChI=1S/C17H19N3O6/c1-16(14(22)23)13(21)20-17(25,26-16)12-8-5-9-18(12)15(24)19(20)10-11-6-3-2-4-7-11/h2-4,6-7,12,25H,5,8-10H2,1H3,(H,22,23)/t12-,16+,17-/m0/s1
InChIKey LVWZYTSWXJLNFR-VUCTXSBTSA-N
Literature Reference Author A.CALCAGNI,G.LUCENTE,G.LUISI,F.PINNEN,D.ROSSI,E.GAVUZZO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2223(1997)
Literature Reference DOI 10.1039/a701230f
Molecular Weight 361.354 g/mol
Solvent CDCl3
Source File Reference UWRU9161