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(3aR,8aR,9aR)-3-[(4-ethyl-1-piperazinyl)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID FiIOoEUhndw
InChI InChI=1S/C21H34N2O2/c1-4-22-8-10-23(11-9-22)14-17-16-12-18-15(2)6-5-7-21(18,3)13-19(16)25-20(17)24/h16-19H,2,4-14H2,1,3H3/t16-,17?,18?,19-,21-/m1/s1
InChIKey IRYDAUQTHJLBSW-UCMFBROFSA-N
Mol Weight 346.5 g/mol
Molecular Formula C21H34N2O2
Exact Mass 346.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMK0tAHqRXz
Name (3aR,8aR,9aR)-3-[(4-ethyl-1-piperazinyl)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Alternate Name(s) (3aR,8aR,9aR)-3-[(4-ethylpiperazin-1-yl)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[(4-ethylpiperazin-1-yl)methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[(4-ethylpiperazino)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
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Formula C21H34N2O2
InChI InChI=1S/C21H34N2O2/c1-4-22-8-10-23(11-9-22)14-17-16-12-18-15(2)6-5-7-21(18,3)13-19(16)25-20(17)24/h16-19H,2,4-14H2,1,3H3/t16-,17?,18?,19-,21-/m1/s1
InChIKey IRYDAUQTHJLBSW-UCMFBROFSA-N
Molecular Weight 346.515 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)CC
SPLASH splash10-0a4l-9200000000-cfad6a5b68cc75a52898
Wiley ID 1442675