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2-Methylpyrrolidino[4,3-f]perhydroisoquinoline-5,7,9-trione
SpectraBase Compound ID 5QjDOfrrxGz
InChI InChI=1S/C12H16N2O3/c1-14-3-2-6-8(5-14)9(15)4-7-10(6)12(17)13-11(7)16/h6-8,10H,2-5H2,1H3,(H,13,16,17)/t6-,7+,8?,10-/m0/s1
InChIKey RJHIKQAXADJYIK-YEBGHFMTSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nYqLa7xfN6
Name 2-Methylpyrrolidino[4,3-f]perhydroisoquinoline-5,7,9-trione
Alternate Name(s) (3aR,9aS,9bS)-7-Methyl-octahydro-pyrrolo[3,4-f]isoquinoline-1,3,5-trione (3aR,9aS,9bS)-7-methyloctahydro-1H-pyrrolo[3,4-f]isoquinoline-1,3,5(2H,4H)-trione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-14-3-2-6-8(5-14)9(15)4-7-10(6)12(17)13-11(7)16/h6-8,10H,2-5H2,1H3,(H,13,16,17)/t6-,7+,8?,10-/m0/s1
InChIKey RJHIKQAXADJYIK-YEBGHFMTSA-N
Molecular Weight 236.271 g/mol
SMILES N1C([C@]2([C@@](C1=O)([C@@]1(C(C(C2)=O)CN(CC1)C)[H])[H])[H])=O
SPLASH splash10-000i-0090000000-02e12475860c17cbe178
Source of Spectrum H1-38-1614-10
Wiley ID 756350