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(1'S,2S/R)-N-[o-(1'-(.alpha.-Furyl)-1'-hydroxymethyl)benzenesulfonyl]-2-hydroxymethylpyrrolidine
SpectraBase Compound ID CJ8rLrmSfgS
InChI InChI=1S/C16H19NO5S/c18-11-12-5-3-9-17(12)23(20,21)15-8-2-1-6-13(15)16(19)14-7-4-10-22-14/h1-2,4,6-8,10,12,16,18-19H,3,5,9,11H2/t12-,16+/m0/s1
InChIKey GOQFFGUWVYFOCW-BLLLJJGKSA-N
Mol Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Exact Mass 337.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fu72RKY5oF
Name (1'S,2S/R)-N-[o-(1'-(.alpha.-Furyl)-1'-hydroxymethyl)benzenesulfonyl]-2-hydroxymethylpyrrolidine
Alternate Name(s) (R)-2-furanyl-[2-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]phenyl]methanol (R)-2-furyl-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]methanol (R)-furan-2-yl-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C16H19NO5S
InChI InChI=1S/C16H19NO5S/c18-11-12-5-3-9-17(12)23(20,21)15-8-2-1-6-13(15)16(19)14-7-4-10-22-14/h1-2,4,6-8,10,12,16,18-19H,3,5,9,11H2/t12-,16+/m0/s1
InChIKey GOQFFGUWVYFOCW-BLLLJJGKSA-N
Molecular Weight 337.390 g/mol
SMILES OC[C@]1(N(S(c2c([C@](c3occc3)(O)[H])cccc2)(=O)=O)CCC1)[H]
SPLASH splash10-0a4i-0009000000-0a657df903a4ad107515
Source of Spectrum E1-39-264-7
Wiley ID 1518693