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3-[(3R,7aS)-2-phenylperhydropyrrolo[1,2-c]imidazol-3-yl]-5-phenyl-2,3,4,5-tetrahydropyrrole-2,4-dicarboxylic acid di(methylester)

View entire compound with spectra: 1 MS (GC)

3-[(3R,7aS)-2-phenylperhydropyrrolo[1,2-c]imidazol-3-yl]-5-phenyl-2,3,4,5-tetrahydropyrrole-2,4-dicarboxylic acid di(methylester)
SpectraBase Compound ID AXjBcbxWzKx
InChI InChI=1S/C26H31N3O4/c1-32-25(30)21-20(23(26(31)33-2)27-22(21)17-10-5-3-6-11-17)24-28-15-9-14-19(28)16-29(24)18-12-7-4-8-13-18/h3-8,10-13,19-24,27H,9,14-16H2,1-2H3/t19-,20?,21?,22?,23?,24+/m0/s1
InChIKey ANRNFJIEJDQXAS-PWLXFYSASA-N
Mol Weight 449.55 g/mol
Molecular Formula C26H31N3O4
Exact Mass 449.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaPz2lNnjoR
Name 3-[(3R,7aS)-2-phenylperhydropyrrolo[1,2-c]imidazol-3-yl]-5-phenyl-2,3,4,5-tetrahydropyrrole-2,4-dicarboxylic acid di(methylester)
Alternate Name(s) Dimethyl 3-[(3R,7aS)-2-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]-5-phenyl-2,4-pyrrolidinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O4
InChI InChI=1S/C26H31N3O4/c1-32-25(30)21-20(23(26(31)33-2)27-22(21)17-10-5-3-6-11-17)24-28-15-9-14-19(28)16-29(24)18-12-7-4-8-13-18/h3-8,10-13,19-24,27H,9,14-16H2,1-2H3/t19-,20?,21?,22?,23?,24+/m0/s1
InChIKey ANRNFJIEJDQXAS-PWLXFYSASA-N
Molecular Weight 449.551 g/mol
SMILES N1C(C(C(C1C(=O)OC)[C@]1(N(C[C@]2(N1CCC2)[H])c1ccccc1)[H])C(=O)OC)c1ccccc1
SPLASH splash10-052r-1900000000-8bdd6b1bef122b44d3a2
Source of Spectrum AJ-63-2863-9
Wiley ID 1387479