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3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID 7nE2uO1jyIp
InChI InChI=1S/C23H27NO4/c1-14-4-3-7-23(2)10-21-16(9-18(14)23)17(22(25)28-21)12-24-11-15-5-6-19-20(8-15)27-13-26-19/h4-6,8-9,16-17,21,24H,3,7,10-13H2,1-2H3
InChIKey PZQGPNVZQAVIQA-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C23H27NO4
Exact Mass 381.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17u3JvtSca
Name 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Alternate Name(s) 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one 3H-Naphtho[2,3-b]furan-2-one, 3-[[(benzo[1,3]dioxol-5-ylmethyl)amino]methyl]-5,8a-dimethyl-3a,7,8,8a,9,9a-hexahydro- 5,8a-dimethyl-3-[(piperonylamino)methyl]-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
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Formula C23H27NO4
InChI InChI=1S/C23H27NO4/c1-14-4-3-7-23(2)10-21-16(9-18(14)23)17(22(25)28-21)12-24-11-15-5-6-19-20(8-15)27-13-26-19/h4-6,8-9,16-17,21,24H,3,7,10-13H2,1-2H3
InChIKey PZQGPNVZQAVIQA-UHFFFAOYSA-N
Molecular Weight 381.472 g/mol
SMILES N(CC1C(=O)OC2CC3(C(=CC12)C(=CCC3)C)C)Cc1cc2OCOc2cc1
SPLASH splash10-0f79-3900000000-9df3d6933b123596be57
Source of Spectrum AD-0-2532-0
Wiley ID 1436104