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Methyl trans-3-Phenyl-5-(trans-1,3,4,5-tetraphenylperhydro-2-imidazolyl)-2-isoxazoline-4-carboxylate
SpectraBase Compound ID LXvg3WmHosN
InChI InChI=1S/C38H33N3O3/c1-43-38(42)32-33(27-17-7-2-8-18-27)39-44-36(32)37-40(30-23-13-5-14-24-30)34(28-19-9-3-10-20-28)35(29-21-11-4-12-22-29)41(37)31-25-15-6-16-26-31/h2-26,32,34-37H,1H3/t32-,34+,35+,36-/m0/s1
InChIKey KQONIJRMAPGOMW-YPSOBTFPSA-N
Mol Weight 579.7 g/mol
Molecular Formula C38H33N3O3
Exact Mass 579.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UYHxHXKCrW
Name Methyl trans-3-Phenyl-5-(trans-1,3,4,5-tetraphenylperhydro-2-imidazolyl)-2-isoxazoline-4-carboxylate
Alternate Name(s) Methyl (4S,5S)-3-phenyl-5-[(4R,5R)-1,3,4,5-tetraphenylimidazolidinyl]-4,5-dihydro-4-isoxazolecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H33N3O3
InChI InChI=1S/C38H33N3O3/c1-43-38(42)32-33(27-17-7-2-8-18-27)39-44-36(32)37-40(30-23-13-5-14-24-30)34(28-19-9-3-10-20-28)35(29-21-11-4-12-22-29)41(37)31-25-15-6-16-26-31/h2-26,32,34-37H,1H3/t32-,34+,35+,36-/m0/s1
InChIKey KQONIJRMAPGOMW-YPSOBTFPSA-N
Molecular Weight 579.700 g/mol
SMILES C1([C@@]2([C@](C(c3ccccc3)=NO2)(C(=O)OC)[H])[H])N([C@](c2ccccc2)([C@](N1c1ccccc1)(c1ccccc1)[H])[H])c1ccccc1
SPLASH splash10-004i-0009000000-07089289c84f840c0cd2
Source of Spectrum AJ-64-3278-0
Wiley ID 1408441