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2-(2'-Dimethylaminophenyl)-4-(2'-methoxyphenyl)-7-phenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane isomer
SpectraBase Compound ID 3Zoad3jDkhF
InChI InChI=1S/C27H27N3O3/c1-29(2)20-15-9-7-13-18(20)24-22-23(25(28-24)19-14-8-10-16-21(19)33-3)27(32)30(26(22)31)17-11-5-4-6-12-17/h4-16,22-25,28H,1-3H3/t22-,23+,24-,25+/m0/s1
InChIKey DPLVVMPKFDBXKP-FQUZAXHOSA-N
Mol Weight 441.53 g/mol
Molecular Formula C27H27N3O3
Exact Mass 441.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4zeNsYZ49G
Name 2-(2'-Dimethylaminophenyl)-4-(2'-methoxyphenyl)-7-phenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N3O3
InChI InChI=1S/C27H27N3O3/c1-29(2)20-15-9-7-13-18(20)24-22-23(25(28-24)19-14-8-10-16-21(19)33-3)27(32)30(26(22)31)17-11-5-4-6-12-17/h4-16,22-25,28H,1-3H3/t22-,23+,24-,25+/m0/s1
InChIKey DPLVVMPKFDBXKP-FQUZAXHOSA-N
Molecular Weight 441.531 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(c1c(N(C)C)cccc1)[H])(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1c(OC)cccc1)[H]
SPLASH splash10-0a4i-0090000000-aa8a2895f909739bc846
Source of Spectrum F-51-13343-14
Synonyms (3aS,4R,6S,6aR)-4-(2-Dimethylamino-phenyl)-6-(2-methoxy-phenyl)-2-phenyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione 4-[2-(dimethylamino)phenyl]-6-(2-methoxyphenyl)-2-phenyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Wiley ID 794497