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3-[(4-benzyl-1-piperidyl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
SpectraBase Compound ID 55vFQuDfvj5
InChI InChI=1S/C27H33NO3/c1-18-23(29)9-13-27(2)12-8-21-22(26(30)31-25(21)24(18)27)17-28-14-10-20(11-15-28)16-19-6-4-3-5-7-19/h3-7,9,13,20-22,25H,8,10-12,14-17H2,1-2H3
InChIKey OEOMMWMJRTXXIW-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C27H33NO3
Exact Mass 419.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fuAAGSPs09
Name 3-[(4-benzyl-1-piperidyl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
Alternate Name(s) 3-[(4-benzylpiperidin-1-yl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 3-[(4-benzylpiperidino)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone 5a,9-dimethyl-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 5a,9-dimethyl-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
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Formula C27H33NO3
InChI InChI=1S/C27H33NO3/c1-18-23(29)9-13-27(2)12-8-21-22(26(30)31-25(21)24(18)27)17-28-14-10-20(11-15-28)16-19-6-4-3-5-7-19/h3-7,9,13,20-22,25H,8,10-12,14-17H2,1-2H3
InChIKey OEOMMWMJRTXXIW-UHFFFAOYSA-N
Molecular Weight 419.565 g/mol
SMILES C1=2C(C=CC(C2C)=O)(CCC2C1OC(C2CN1CCC(CC1)Cc1ccccc1)=O)C
SPLASH splash10-000i-6900000000-43f75c31ae465cc2cbf3
Wiley ID 1446779