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3-[(4-benzylpiperazin-1-yl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
SpectraBase Compound ID 6PLxVH8MZ9W
InChI InChI=1S/C26H32N2O3/c1-18-22(29)9-11-26(2)10-8-20-21(25(30)31-24(20)23(18)26)17-28-14-12-27(13-15-28)16-19-6-4-3-5-7-19/h3-7,9,11,20-21,24H,8,10,12-17H2,1-2H3
InChIKey ZCYXRKNXQNMCGQ-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H32N2O3
Exact Mass 420.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wjbMkQsUis
Name 3-[(4-benzylpiperazin-1-yl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
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Formula C26H32N2O3
InChI InChI=1S/C26H32N2O3/c1-18-22(29)9-11-26(2)10-8-20-21(25(30)31-24(20)23(18)26)17-28-14-12-27(13-15-28)16-19-6-4-3-5-7-19/h3-7,9,11,20-21,24H,8,10,12-17H2,1-2H3
InChIKey ZCYXRKNXQNMCGQ-UHFFFAOYSA-N
Molecular Weight 420.553 g/mol
SMILES C1=2C(C=CC(C2C)=O)(CCC2C1OC(C2CN1CCN(CC1)Cc1ccccc1)=O)C
SPLASH splash10-0006-9600000000-6dde5245fb603f3501b5
Synonyms 3-[(4-benzylpiperazin-1-yl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 3-[(4-benzylpiperazino)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone 5a,9-dimethyl-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 5a,9-dimethyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Wiley ID 1446763