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2-[(2'-Aza-3'-(methoxymethylbicyclo[3.3.0]octan-2'-yl)amino]butyl phenyl sulfone
SpectraBase Compound ID IvyLqnC8pXI
InChI InChI=1S/C19H30N2O3S/c1-3-16(14-25(22,23)18-9-5-4-6-10-18)20-21-17(13-24-2)12-15-8-7-11-19(15)21/h4-6,9-10,15-17,19-20H,3,7-8,11-14H2,1-2H3/t15-,16+,17-,19-/m1/s1
InChIKey VXJLGAXNWFDWIW-SFNKJDCFSA-N
Mol Weight 366.52 g/mol
Molecular Formula C19H30N2O3S
Exact Mass 366.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1B1BzqLDMC
Name 2-[(2'-Aza-3'-(methoxymethylbicyclo[3.3.0]octan-2'-yl)amino]butyl phenyl sulfone
Alternate Name(s) ((S)-1-Benzenesulfonylmethyl-propyl)-((2R,3aR,6aR)-2-methoxymethyl-hexahydro-cyclopenta[b]pyrrol-1-yl)-amine (2R,3aR,6aR)-N-[(2S)-1-(benzenesulfonyl)butan-2-yl]-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-amine (2R,3aR,6aR)-N-[(1S)-1-(benzenesulfonylmethyl)propyl]-2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-amine (2R,3aR,6aR)-2-(methoxymethyl)-N-[(2S)-1-(phenylsulfonyl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-amine
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Formula C19H30N2O3S
InChI InChI=1S/C19H30N2O3S/c1-3-16(14-25(22,23)18-9-5-4-6-10-18)20-21-17(13-24-2)12-15-8-7-11-19(15)21/h4-6,9-10,15-17,19-20H,3,7-8,11-14H2,1-2H3/t15-,16+,17-,19-/m1/s1
InChIKey VXJLGAXNWFDWIW-SFNKJDCFSA-N
Molecular Weight 366.520 g/mol
SMILES N(N1[C@](C[C@@]2([C@]1(CCC2)[H])[H])(COC)[H])[C@](CS(=O)(=O)c1ccccc1)(CC)[H]
SPLASH splash10-0600-9202000000-7c5c529f206837c2d93a
Source of Spectrum K1-2000-886-27
Wiley ID 749736