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1-[4'-(2"-Fluoroethoxy)benzyl]-5-[1'''-(2""-{phenoxymethyl}pyrrolidinyl)sulfonyl]-isatin
SpectraBase Compound ID 78XEDOTK1Og
InChI InChI=1S/C28H27FN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1
InChIKey JVKBLHAUEXSZHN-NRFANRHFSA-N
Mol Weight 538.59 g/mol
Molecular Formula C28H27FN2O6S
Exact Mass 538.157386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RbOEN67K2u
Name 1-[4'-(2"-Fluoroethoxy)benzyl]-5-[1'''-(2""-{phenoxymethyl}pyrrolidinyl)sulfonyl]-isatin
Alternate Name(s) 1-[[4-(2-fluoroethoxy)phenyl]methyl]-5-[[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]indole-2,3-dione 1-[[4-(2-fluoroethoxy)phenyl]methyl]-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione 1-[[4-(2-fluoroethoxy)phenyl]methyl]-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione 1-[[4-(2-fluoranylethoxy)phenyl]methyl]-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C28H27FN2O6S
InChI InChI=1S/C28H27FN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1
InChIKey JVKBLHAUEXSZHN-NRFANRHFSA-N
Molecular Weight 538.590 g/mol
SMILES [C@]1(N(S(c2cc3C(C(=O)N(c3cc2)Cc2ccc(cc2)OCCF)=O)(=O)=O)CCC1)(COc1ccccc1)[H]
SPLASH splash10-001i-0000910000-ae2ab8697ad8ab6158a9
Source of Spectrum AF-49-6713-36
Wiley ID 1694201