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CYCLOHEXYL-(R,S)-(-)-3-[2-(METHOXYMETHYL)-PYRROLIDIN-1-YLAMINO]-NONANE-1-SULFONATE
SpectraBase Compound ID 71WWiLStqo2
InChI InChI=1S/C21H42N2O4S/c1-3-4-5-7-11-19(22-23-16-10-12-20(23)18-26-2)15-17-28(24,25)27-21-13-8-6-9-14-21/h19-22H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKey QFSZNCDBOLPLJM-UXHICEINSA-N
Mol Weight 418.6 g/mol
Molecular Formula C21H42N2O4S
Exact Mass 418.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kd5FSb3XM7a
Name Cyclohexyl (-)-(R,S)-3-[2-Methoxymethyl)pyrrolidin-1-ylamino]nonane-1-sulfonate
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Formula C21H42N2O4S
InChI InChI=1S/C21H42N2O4S/c1-3-4-5-7-11-19(22-23-16-10-12-20(23)18-26-2)15-17-28(24,25)27-21-13-8-6-9-14-21/h19-22H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKey QFSZNCDBOLPLJM-UXHICEINSA-N
Molecular Weight 418.637 g/mol
SMILES N(N1[C@](COC)(CCC1)[H])[C@@](CCS(OC1CCCCC1)(=O)=O)(CCCCCC)[H]
SPLASH splash10-0006-2190000000-3a5edb1bc2ad7f2f2b68
Source of Spectrum K1-0-1275-4
Synonyms (3R)-3-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-1-nonanesulfonic acid cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]nonane-1-sulfonate
Wiley ID 1588512