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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 6qHDt4ilZH9
Name Iso-absouline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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([C@]2(N(CC1)CCC2)[H])[H])C(\C=C\c1ccc(cc1)OC)=O
SPLASH splash10-0a4i-4900000000-7c4158b572b9e52fee9d
Source of Spectrum X2-50-629-4
Synonyms 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
Wiley ID 1602291