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3-ETHOXYCARBONYL-1,3,3A,9B-TETRAHYDRO-6-METHYL-1-(3-OXOBUTYL)-ISOXAZOLO-[4,3-C]-QUINOLIN-4(5H)-ONE
SpectraBase Compound ID DXZvDaEzm4k
InChI InChI=1S/C18H22N2O5/c1-4-24-18(23)16-13-15(20(25-16)9-8-11(3)21)12-7-5-6-10(2)14(12)19-17(13)22/h5-7,13,15-16H,4,8-9H2,1-3H3,(H,19,22)/t13-,15+,16-/m0/s1
InChIKey AUXRCLMTJQWYKV-IMJJTQAJSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QvIUXkPRiT
Name 3-ETHOXYCARBONYL-1,3,3A,9B-TETRAHYDRO-6-METHYL-1-(3-OXOBUTYL)-ISOXAZOLO-[4,3-C]-QUINOLIN-4(5H)-ONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-4-24-18(23)16-13-15(20(25-16)9-8-11(3)21)12-7-5-6-10(2)14(12)19-17(13)22/h5-7,13,15-16H,4,8-9H2,1-3H3,(H,19,22)/t13-,15+,16-/m0/s1
InChIKey AUXRCLMTJQWYKV-IMJJTQAJSA-N
Literature Reference Author F.HEANEY,S.BOURKE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,955(1998)
Literature Reference DOI 10.1039/a707078k
Molecular Weight 346.383 g/mol
Solvent CDCl3
Source File Reference UWGE2519