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ABSOULINE
SpectraBase Compound ID GJgm9I5MxbH
InChI InChI=1S/C17H22N2O2/c1-21-14-7-4-13(5-8-14)6-9-17(20)18-15-10-12-19-11-2-3-16(15)19/h4-9,15-16H,2-3,10-12H2,1H3,(H,18,20)/b9-6+/t15-,16+/m1/s1
InChIKey SBFIICJNXKHXND-GRLYAWNKSA-N
Mol Weight 286.38 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkCm1gFAZvj
Name Iso-absouline
Alternate Name(s) Absouline (E)-3-(4-methoxyphenyl)-N-[(1R,8S)-pyrrolizidin-1-yl]acrylamide (E)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)-2-propenamide (E)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)prop-2-enamide
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Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-21-14-7-4-13(5-8-14)6-9-17(20)18-15-10-12-19-11-2-3-16(15)19/h4-9,15-16H,2-3,10-12H2,1H3,(H,18,20)/b9-6+/t15-,16+/m1/s1
InChIKey SBFIICJNXKHXND-GRLYAWNKSA-N
Molecular Weight 286.375 g/mol
SMILES N([C@@]1(CCN2[C@]1(CCC2)[H])[H])C(=O)\C=C\c1ccc(cc1)OC
SPLASH splash10-0a59-6900000000-795cb40f29f0ee4aa533
Source of Spectrum X2-50-629-1
Wiley ID 1602292