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Dimethyl cis-6-(methylthio)-6,7,10,11,12,12a-hexahydro-9H-pyrido[1',2':1,2]pyrazino[4,3-a]indole-11-malonate
SpectraBase Compound ID LS5hHHZPpNO
InChI InChI=1S/C21H26N2O4S/c1-26-20(24)19(21(25)27-2)14-8-9-22-12-18(28-3)23-15-7-5-4-6-13(15)10-17(23)16(22)11-14/h4-7,10,14,16,18-19H,8-9,11-12H2,1-3H3
InChIKey QMIWEGWVOJOLDD-UHFFFAOYSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F41x0jf6vPL
Name Dimethyl cis-6-(methylthio)-6,7,10,11,12,12a-hexahydro-9H-pyrido[1',2':1,2]pyrazino[4,3-a]indole-11-malonate
Alternate Name(s) Dimethyl 2-[7-(methylsulfanyl)-1,3,4,6,7,13b-hexahydro-2H-pyrido[2',1':3,4]pyrazino[1,2-a]indol-2-yl]malonate
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Formula C21H26N2O4S
InChI InChI=1S/C21H26N2O4S/c1-26-20(24)19(21(25)27-2)14-8-9-22-12-18(28-3)23-15-7-5-4-6-13(15)10-17(23)16(22)11-14/h4-7,10,14,16,18-19H,8-9,11-12H2,1-3H3
InChIKey QMIWEGWVOJOLDD-UHFFFAOYSA-N
Molecular Weight 402.509 g/mol
SMILES c12[n](C(SC)CN3C2CC(C(C(=O)OC)C(=O)OC)CC3)c2ccccc2c1
SPLASH splash10-0pi0-0149000000-ee5bb765e6e3fdadbd2f
Source of Spectrum J-62-3173-30
Wiley ID 1370309