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Pyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione, hexahydro-4-[4-(methylthio)phenyl]-2-phenyl-
SpectraBase Compound ID LiDvMARwR4x
InChI InChI=1S/C22H22N2O2S/c1-27-16-11-9-14(10-12-16)20-19-18(17-8-5-13-23(17)20)21(25)24(22(19)26)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3
InChIKey QHRYYIWWVCYYGL-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C22H22N2O2S
Exact Mass 378.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqywXmkKGyU
Name Pyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione, hexahydro-4-[4-(methylthio)phenyl]-2-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O2S
InChI InChI=1S/C22H22N2O2S/c1-27-16-11-9-14(10-12-16)20-19-18(17-8-5-13-23(17)20)21(25)24(22(19)26)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3
InChIKey QHRYYIWWVCYYGL-UHFFFAOYSA-N
Molecular Weight 378.490 g/mol
SMILES c1(ccc(cc1)C1N2C(C3C1C(N(C3=O)c1ccccc1)=O)CCC2)SC
SPLASH splash10-0a4i-4960000000-a1bd4fabf36d51d4342b
Source of Spectrum IY-1-4478-2
Synonyms 4-[4-(methylthio)phenyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione 4-(4-Methylsulfanylphenyl)-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
Wiley ID 1652765