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Methyl trans-3-Phenyl-5-(trans-1,3-dimethyl-4,5-diphenylperhydro-2-imidazolyl)-2-isoxazoline-4-carboxylate
SpectraBase Compound ID AcilLdcpTyf
InChI InChI=1S/C28H29N3O3/c1-30-24(20-15-9-5-10-16-20)25(21-17-11-6-12-18-21)31(2)27(30)26-22(28(32)33-3)23(29-34-26)19-13-7-4-8-14-19/h4-18,22,24-27H,1-3H3/t22-,24+,25+,26-/m0/s1
InChIKey BOHCUXLSSMOAFE-CDCCBSOTSA-N
Mol Weight 455.56 g/mol
Molecular Formula C28H29N3O3
Exact Mass 455.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwWgwkH5Kiy
Name Methyl trans-3-Phenyl-5-(trans-1,3-dimethyl-4,5-diphenylperhydro-2-imidazolyl)-2-isoxazoline-4-carboxylate
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Formula C28H29N3O3
InChI InChI=1S/C28H29N3O3/c1-30-24(20-15-9-5-10-16-20)25(21-17-11-6-12-18-21)31(2)27(30)26-22(28(32)33-3)23(29-34-26)19-13-7-4-8-14-19/h4-18,22,24-27H,1-3H3/t22-,24+,25+,26-/m0/s1
InChIKey BOHCUXLSSMOAFE-CDCCBSOTSA-N
Molecular Weight 455.558 g/mol
SMILES C1([C@@]2([C@](C(c3ccccc3)=NO2)(C(=O)OC)[H])[H])N([C@](c2ccccc2)([C@](N1C)(c1ccccc1)[H])[H])C
SPLASH splash10-0udi-0090000000-8108d9d3a6306d96b13f
Source of Spectrum AJ-64-3278-0
Synonyms Methyl (4S,5S)-5-[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidinyl]-3-phenyl-4,5-dihydro-4-isoxazolecarboxylate
Wiley ID 1389074