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(3S,11aS)-3-(2-methylpropyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
SpectraBase Compound ID 8Wt5qsyhBnU
InChI InChI=1S/C16H20N2O2/c1-10(2)7-13-16(20)18-9-12-6-4-3-5-11(12)8-14(18)15(19)17-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKey RQHJMTGFFJSZHR-KBPBESRZSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUK7kO2sXIH
Name (3S,11aS)-3-(2-methylpropyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
Alternate Name(s) (3S,11aS)-3-isobutyl-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione (3S,11aS)-3-isobutyl-3,6,11,11a-tetrahydro-2H-pyrazin[1,2-b]isoquinoline-1,4-quinone
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Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-10(2)7-13-16(20)18-9-12-6-4-3-5-11(12)8-14(18)15(19)17-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKey RQHJMTGFFJSZHR-KBPBESRZSA-N
Molecular Weight 272.348 g/mol
SMILES N1[C@](C(N2[C@](C1=O)(Cc1c(C2)cccc1)[H])=O)(CC(C)C)[H]
SPLASH splash10-0gc0-0690000000-20d31e1e32c13ebe7849
Source of Spectrum U1-2002-3942-13
Wiley ID 1523506