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3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
SpectraBase Compound ID BRHmlkUInZQ
InChI InChI=1S/C26H32N2O4/c1-17-21(29)9-11-26(2)10-8-18-19(25(30)32-24(18)23(17)26)16-27-12-14-28(15-13-27)20-6-4-5-7-22(20)31-3/h4-7,9,11,18-19,24H,8,10,12-16H2,1-3H3
InChIKey ZPFCKLJVWGPBDI-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 B0Yt13EZmXQ
Name 3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O4
InChI InChI=1S/C26H32N2O4/c1-17-21(29)9-11-26(2)10-8-18-19(25(30)32-24(18)23(17)26)16-27-12-14-28(15-13-27)20-6-4-5-7-22(20)31-3/h4-7,9,11,18-19,24H,8,10,12-16H2,1-3H3
InChIKey ZPFCKLJVWGPBDI-UHFFFAOYSA-N
Molecular Weight 436.552 g/mol
SMILES C1=2C(C=CC(C2C)=O)(CCC2C1OC(C2CN1CCN(CC1)c1ccccc1OC)=O)C
SPLASH splash10-0abi-6920100000-fb66b293b994f97aee0a
Synonyms 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 3-[[4-(2-methoxyphenyl)piperazino]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone
Wiley ID 1446783