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(3S,11aS)-3-(4-methylpent-3-enyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
SpectraBase Compound ID LbiEWRdsvGo
InChI InChI=1S/C18H22N2O2/c1-12(2)6-5-9-15-18(22)20-11-14-8-4-3-7-13(14)10-16(20)17(21)19-15/h3-4,6-8,15-16H,5,9-11H2,1-2H3,(H,19,21)/t15-,16-/m0/s1
InChIKey AZYXIFLVUTWSRN-HOTGVXAUSA-N
Mol Weight 298.39 g/mol
Molecular Formula C18H22N2O2
Exact Mass 298.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOFxpmhA4SM
Name (3S,11aS)-3-(4-methylpent-3-enyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O2
InChI InChI=1S/C18H22N2O2/c1-12(2)6-5-9-15-18(22)20-11-14-8-4-3-7-13(14)10-16(20)17(21)19-15/h3-4,6-8,15-16H,5,9-11H2,1-2H3,(H,19,21)/t15-,16-/m0/s1
InChIKey AZYXIFLVUTWSRN-HOTGVXAUSA-N
Molecular Weight 298.386 g/mol
SMILES N1[C@](C(N2[C@](C1=O)(Cc1c(C2)cccc1)[H])=O)(CCC=C(C)C)[H]
SPLASH splash10-0uxr-0930000000-3526c5c21e237e9cf805
Source of Spectrum U1-2002-3942-13
Synonyms (3S,11aS)-3-(4-methylpent-3-enyl)-3,6,11,11a-tetrahydro-2H-pyrazin[1,2-b]isoquinoline-1,4-quinone
Wiley ID 1523504