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(3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID DSdwn8FteKG
InChI InChI=1S/C25H33N3O4/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)32-23)16-26-10-12-27(13-11-26)18-5-7-19(8-6-18)28(30)31/h5-8,20-23H,1,3-4,9-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey YYNSVIHMXBJYSY-SSHIOZSPSA-N
Mol Weight 439.6 g/mol
Molecular Formula C25H33N3O4
Exact Mass 439.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WW0tkRzgry
Name (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Alternate Name(s) (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[[4-(4-nitrophenyl)piperazino]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-8a-methyl-5-methylidene-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O4
InChI InChI=1S/C25H33N3O4/c1-17-4-3-9-25(2)15-23-20(14-22(17)25)21(24(29)32-23)16-26-10-12-27(13-11-26)18-5-7-19(8-6-18)28(30)31/h5-8,20-23H,1,3-4,9-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey YYNSVIHMXBJYSY-SSHIOZSPSA-N
Molecular Weight 439.556 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1ccc(N(=O)=O)cc1
SPLASH splash10-00di-8790000000-5f865282677e28734e3b
Wiley ID 1442674