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(S)-Methyl-1-((3aS,4R,7aS)-2-methyl-1,3-dioxo-6-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(S)-Methyl-1-((3aS,4R,7aS)-2-methyl-1,3-dioxo-6-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
SpectraBase Compound ID 1L1Ii5SCWNn
InChI InChI=1S/C21H22N2O5/c1-22-19(25)14-10-13(12-6-4-3-5-7-12)11-16(18(14)20(22)26)23-15(21(27)28-2)8-9-17(23)24/h3-7,11,14-16,18H,8-10H2,1-2H3/t14-,15-,16+,18-/m0/s1
InChIKey OYYXEQAWOSQNMU-CUSZFKRNSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gx7QGgSzQ
Name (S)-Methyl-1-((3aS,4R,7aS)-2-methyl-1,3-dioxo-6-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c1-22-19(25)14-10-13(12-6-4-3-5-7-12)11-16(18(14)20(22)26)23-15(21(27)28-2)8-9-17(23)24/h3-7,11,14-16,18H,8-10H2,1-2H3/t14-,15-,16+,18-/m0/s1
InChIKey OYYXEQAWOSQNMU-CUSZFKRNSA-N
Literature Reference DOI 10.1002/asia.200700031
Molecular Weight 382.416 g/mol
SMILES C1=C(C[C@@]2([H])[C@@]([H])([C@@]1(N1C(CC[C@]1(C(OC)=O)[H])=O)[H])C(N(C2=O)C)=O)c1ccccc1
SPLASH splash10-05rs-5889000000-c1b1df6b02387f9a20ea
Source of Spectrum CAJ-2-744-10
Synonyms (S)-methyl 1-((3aS,4R,7aS)-2-methyl-1,3-dioxo-6-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
Wiley ID 1774964