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3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
SpectraBase Compound ID 5yCq8em7v4r
InChI InChI=1S/C26H32N2O4/c1-17-22(29)9-11-26(2)10-8-20-21(25(30)32-24(20)23(17)26)16-27-12-14-28(15-13-27)18-4-6-19(31-3)7-5-18/h4-7,9,11,20-21,24H,8,10,12-16H2,1-3H3
InChIKey CHDIGQLUUHEUJK-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H32N2O4
Exact Mass 436.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FL69sL7xZ3F
Name 3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
Alternate Name(s) 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 3-[[4-(4-methoxyphenyl)piperazino]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone
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Formula C26H32N2O4
InChI InChI=1S/C26H32N2O4/c1-17-22(29)9-11-26(2)10-8-20-21(25(30)32-24(20)23(17)26)16-27-12-14-28(15-13-27)18-4-6-19(31-3)7-5-18/h4-7,9,11,20-21,24H,8,10,12-16H2,1-3H3
InChIKey CHDIGQLUUHEUJK-UHFFFAOYSA-N
Molecular Weight 436.552 g/mol
SMILES C1=2C(C=CC(C2C)=O)(CCC2C1OC(C2CN1CCN(CC1)c1ccc(cc1)OC)=O)C
SPLASH splash10-059i-8910200000-2250636997e6318c1090
Wiley ID 1446781