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CYCLOHEXYL-(R,S)-(-)-3-[2-(METHOXYMETHYL)-PYRROLIDIN-1-YLAMINO]-HEPTANE-1-SULFONATE
SpectraBase Compound ID Dbv5a2hwjn
InChI InChI=1S/C19H38N2O4S/c1-3-4-9-17(20-21-14-8-10-18(21)16-24-2)13-15-26(22,23)25-19-11-6-5-7-12-19/h17-20H,3-16H2,1-2H3/t17-,18+/m1/s1
InChIKey OSFKKHUEOSYBON-MSOLQXFVSA-N
Mol Weight 390.6 g/mol
Molecular Formula C19H38N2O4S
Exact Mass 390.255229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hSePcQV2uF
Name Cyclohexyl (-)-(R,S)-3-[2-Methoxymethyl)pyrrolidin-1-ylamino]heptane-1-sulfonate
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Formula C19H38N2O4S
InChI InChI=1S/C19H38N2O4S/c1-3-4-9-17(20-21-14-8-10-18(21)16-24-2)13-15-26(22,23)25-19-11-6-5-7-12-19/h17-20H,3-16H2,1-2H3/t17-,18+/m1/s1
InChIKey OSFKKHUEOSYBON-MSOLQXFVSA-N
Molecular Weight 390.583 g/mol
SMILES N(N1[C@](COC)(CCC1)[H])[C@@](CCS(OC1CCCCC1)(=O)=O)(CCCC)[H]
SPLASH splash10-03di-1091000000-4e6b9da20ff0234459a0
Source of Spectrum K1-0-1275-4
Synonyms (3R)-3-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-1-heptanesulfonic acid cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]heptane-1-sulfonate
Wiley ID 1588513