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(5aR,7S,8aS)-7-chloranyl-2,4-dimethyl-5,5a,6,7,8,8a-hexahydropentaleno[2,1-d]pyrimidine-1,3-dione
SpectraBase Compound ID 8Kg0uMhN3Fe
InChI InChI=1S/C12H15ClN2O2/c1-14-9-4-6-3-7(13)5-8(6)10(9)11(16)15(2)12(14)17/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
InChIKey MROKJQPMNYKPBK-FXQIFTODSA-N
Mol Weight 254.72 g/mol
Molecular Formula C12H15ClN2O2
Exact Mass 254.082205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp6msuxLFJU
Name (5aR,7S,8aS)-7-chloranyl-2,4-dimethyl-5,5a,6,7,8,8a-hexahydropentaleno[2,1-d]pyrimidine-1,3-dione
Alternate Name(s) (5aR,7S,8aS)-7-chloro-2,4-dimethyl-5,5a,6,7,8,8a-hexahydropentaleno[2,1-d]pyrimidine-1,3-dione (5aR,7S,8aS)-7-chloro-2,4-dimethyl-5,5a,6,7,8,8a-hexahydropentaleno[2,1-d]pyrimidine-1,3-quinone
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Formula C12H15ClN2O2
InChI InChI=1S/C12H15ClN2O2/c1-14-9-4-6-3-7(13)5-8(6)10(9)11(16)15(2)12(14)17/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
InChIKey MROKJQPMNYKPBK-FXQIFTODSA-N
Molecular Weight 254.717 g/mol
SMILES C1=2C(N(C)C(N(C2C[C@]2([C@@]1(C[C@](Cl)([H])C2)[H])[H])C)=O)=O
SPLASH splash10-00ou-2940000000-94e8a0a0fc7c3ce72032
Source of Spectrum H1-47-436-7
Wiley ID 816075