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3,5-bis-[rel-(2R,3S)-3-phenyl-1-phthalimido-aziridin-2-yl]-1,2,4-oxadiazole

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3,5-bis-[rel-(2R,3S)-3-phenyl-1-phthalimido-aziridin-2-yl]-1,2,4-oxadiazole
SpectraBase Compound ID Fk9Wyd2ChHC
InChI InChI=1S/C34H22N6O5/c41-31-21-15-7-8-16-22(21)32(42)39(31)37-25(19-11-3-1-4-12-19)27(37)29-35-30(45-36-29)28-26(20-13-5-2-6-14-20)38(28)40-33(43)23-17-9-10-18-24(23)34(40)44/h1-18,25-28H/t25-,26-,27+,28+,37?,38?/m0/s1
InChIKey WSCCEUXGVKMAEQ-MXLFHHIBSA-N
Mol Weight 594.6 g/mol
Molecular Formula C34H22N6O5
Exact Mass 594.165168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFkaeqhTpoX
Name 3,5-bis-[rel-(2R,3S)-3-Phenyl-1-phthalimido-aziridin-2-yl]-1,2,4-oxadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.165167827 u
Formula C34H22N6O5
InChI InChI=1S/C34H22N6O5/c41-31-21-15-7-8-16-22(21)32(42)39(31)37-25(19-11-3-1-4-12-19)27(37)29-35-30(45-36-29)28-26(20-13-5-2-6-14-20)38(28)40-33(43)23-17-9-10-18-24(23)34(40)44/h1-18,25-28H/t25-,26-,27+,28+,37?,38?/m0/s1
InChIKey WSCCEUXGVKMAEQ-MXLFHHIBSA-N
Molecular Weight 594.587 g/mol
SMILES C1(N(N2[C@@](C3=NC([C@@]4(N(N5C(C6=CC=CC=C6C5=O)=O)[C@]4(C=4C=CC=CC4)[H])[H])=NO3)([C@@]2(C2=CC=CC=C2)[H])[H])C(C2=CC=CC=C12)=O)=O