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Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2-methyl-4-[2-(methylthio)ethyl]-6-phenyl-, (3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)-

View entire compound with spectra: 1 MS (GC)

Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2-methyl-4-[2-(methylthio)ethyl]-6-phenyl-, (3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID 9C5BImbe9Mm
InChI InChI=1S/C16H20N2O2S/c1-18-15(19)12-11(8-9-21-2)17-14(13(12)16(18)20)10-6-4-3-5-7-10/h3-7,11-14,17H,8-9H2,1-2H3/t11-,12-,13-,14+/m0/s1
InChIKey PIRZFYKTQVYSOX-XDQVBPFNSA-N
Mol Weight 304.41 g/mol
Molecular Formula C16H20N2O2S
Exact Mass 304.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EcZEKPezf5
Name Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2-methyl-4-[2-(methylthio)ethyl]-6-phenyl-, (3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)-
Alternate Name(s) (3aR,4S,6S,6aS)-2-methyl-4-[2-(methylsulfanyl)ethyl]-6-phenyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione 1.alpha.,5.alpha.,6.alpha.,8.alpha.-3-methyl-6-(2-methylthioethyl)-2,4-dioxo-8-phenyl-3,7-diazabicyclo[3.3.0]octane
CAS Registry Number 111059-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2S
InChI InChI=1S/C16H20N2O2S/c1-18-15(19)12-11(8-9-21-2)17-14(13(12)16(18)20)10-6-4-3-5-7-10/h3-7,11-14,17H,8-9H2,1-2H3/t11-,12-,13-,14+/m0/s1
InChIKey PIRZFYKTQVYSOX-XDQVBPFNSA-N
Molecular Weight 304.408 g/mol
SMILES N1[C@]([C@]2([C@@]([C@]1(c1ccccc1)[H])(C(N(C2=O)C)=O)[H])[H])(CCSC)[H]
SPLASH splash10-0kcr-1897000000-bc61922fffcda27b8d0c
Source of Spectrum KC-1988-2711-32
Wiley ID 1306330