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(3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one

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(3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID 88dg82XcSaK
InChI InChI=1S/C26H34N2O3/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h5-9,15,21-22,24H,4,10-14,16-17H2,1-3H3/t21-,22?,24-,26-/m1/s1
InChIKey FQPQZNXUZPLMNR-VSYJZPKMSA-N
Mol Weight 422.6 g/mol
Molecular Formula C26H34N2O3
Exact Mass 422.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j8iC9lg2Ux
Name (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N2O3
InChI InChI=1S/C26H34N2O3/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h5-9,15,21-22,24H,4,10-14,16-17H2,1-3H3/t21-,22?,24-,26-/m1/s1
InChIKey FQPQZNXUZPLMNR-VSYJZPKMSA-N
Molecular Weight 422.569 g/mol
SMILES C1(C(O[C@]2([C@@]1(C=C1C(=CCC[C@@]1(C2)C)C)[H])[H])=O)CN1CCN(CC1)c1ccc(cc1)OC
SPLASH splash10-05fr-8920100000-730206adb8947f067e93
Synonyms (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Wiley ID 1445092