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3-(4-Methylphenyl)-5-[rel-(2R,3S)-3-(4-methoxyphenyl)-1-phthalimidoaziridin-2-yl]-1,2,4-oxadiazole
SpectraBase Compound ID F3y8JuSWwyP
InChI InChI=1S/C26H20N4O4/c1-15-7-9-17(10-8-15)23-27-24(34-28-23)22-21(16-11-13-18(33-2)14-12-16)29(22)30-25(31)19-5-3-4-6-20(19)26(30)32/h3-14,21-22H,1-2H3/t21-,22+,29?/m0/s1
InChIKey GMQPKQCZNQJFMI-DPONRAIZSA-N
Mol Weight 452.47 g/mol
Molecular Formula C26H20N4O4
Exact Mass 452.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8cZ0aiUjhw
Name 3-(4-Methylphenyl)-5-[rel-(2R,3S)-3-(4-methoxyphenyl)-1-phthalimidoaziridin-2-yl]-1,2,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N4O4
InChI InChI=1S/C26H20N4O4/c1-15-7-9-17(10-8-15)23-27-24(34-28-23)22-21(16-11-13-18(33-2)14-12-16)29(22)30-25(31)19-5-3-4-6-20(19)26(30)32/h3-14,21-22H,1-2H3/t21-,22+,29?/m0/s1
InChIKey GMQPKQCZNQJFMI-DPONRAIZSA-N
Molecular Weight 452.470 g/mol
SMILES C1(N(N2[C@@](c3nc(-c4ccc(cc4)C)no3)([C@@]2(c2ccc(cc2)OC)[H])[H])C(c2ccccc12)=O)=O
SPLASH splash10-0159-0908000000-20171239a297c6721b2b
Source of Spectrum O1-46-682-3b
Wiley ID 1669216