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Methyl trans-3-(p-Methoxyphenyl)-5-(trans-1,3,4,5-tetraphenylperhydro-2-imidazolyl)-2-isoxazoline-4-carboxylate
SpectraBase Compound ID 4GXT8Ctz9FA
InChI InChI=1S/C39H35N3O4/c1-44-32-25-23-27(24-26-32)34-33(39(43)45-2)37(46-40-34)38-41(30-19-11-5-12-20-30)35(28-15-7-3-8-16-28)36(29-17-9-4-10-18-29)42(38)31-21-13-6-14-22-31/h3-26,33,35-38H,1-2H3/t33-,35+,36+,37-/m0/s1
InChIKey JZCKHXNVWIQZMJ-ZPDCEZAMSA-N
Mol Weight 609.7 g/mol
Molecular Formula C39H35N3O4
Exact Mass 609.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6h6qCOcI5s
Name Methyl trans-3-(p-Methoxyphenyl)-5-(trans-1,3,4,5-tetraphenylperhydro-2-imidazolyl)-2-isoxazoline-4-carboxylate
Alternate Name(s) Methyl (4S,5S)-3-(4-methoxyphenyl)-5-[(4R,5R)-1,3,4,5-tetraphenylimidazolidinyl]-4,5-dihydro-4-isoxazolecarboxylate
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Formula C39H35N3O4
InChI InChI=1S/C39H35N3O4/c1-44-32-25-23-27(24-26-32)34-33(39(43)45-2)37(46-40-34)38-41(30-19-11-5-12-20-30)35(28-15-7-3-8-16-28)36(29-17-9-4-10-18-29)42(38)31-21-13-6-14-22-31/h3-26,33,35-38H,1-2H3/t33-,35+,36+,37-/m0/s1
InChIKey JZCKHXNVWIQZMJ-ZPDCEZAMSA-N
Molecular Weight 609.726 g/mol
SMILES C1([C@@]2([C@](C(c3ccc(cc3)OC)=NO2)(C(=O)OC)[H])[H])N([C@](c2ccccc2)([C@](N1c1ccccc1)(c1ccccc1)[H])[H])c1ccccc1
SPLASH splash10-004i-0209000000-7d3ddfdef6e1351228fb
Source of Spectrum AJ-64-3278-0
Wiley ID 1410839