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(+)-cis-1-(p-Methoxyphenyl)-3-phthalimidyl-4-[1-(methoxycarbonyl)ethyliminomethyl]azetidin-2-one
SpectraBase Compound ID 7PFhfIgDel1
InChI InChI=1S/C23H21N3O6/c1-13(23(30)32-3)24-12-18-19(22(29)25(18)14-8-10-15(31-2)11-9-14)26-20(27)16-6-4-5-7-17(16)21(26)28/h4-13,18-19H,1-3H3/b24-12+/t13?,18-,19+/m0/s1
InChIKey ABIPOCLMKJLMPI-KNGQLHATSA-N
Mol Weight 435.44 g/mol
Molecular Formula C23H21N3O6
Exact Mass 435.143035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMnI6lLh8Hm
Name (+)-cis-1-(p-methoxyphenyl)-3-phthalimidyl-4-[1-(methoxycarbonyl)ethyliminomethyl]azetidin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.143035402 u
Formula C23H21N3O6
InChI InChI=1S/C23H21N3O6/c1-13(23(30)32-3)24-12-18-19(22(29)25(18)14-8-10-15(31-2)11-9-14)26-20(27)16-6-4-5-7-17(16)21(26)28/h4-13,18-19H,1-3H3/b24-12+/t13?,18-,19+/m0/s1
InChIKey ABIPOCLMKJLMPI-KNGQLHATSA-N
Molecular Weight 435.436 g/mol
SMILES [C@@]1(N2C(C=3C=CC=CC3C2=O)=O)(C(=O)N([C@]1(\C=N\C(C(=O)OC)C)[H])C=1C=CC(=CC1)OC)[H]