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5-[1'-(2"-{Methoxyoxymethyl}pyrrolidinyl)sulfonyl]-1-(p-iodobenzyl)-isatin
SpectraBase Compound ID G5F8gTziFWb
InChI InChI=1S/C21H21IN2O5S/c1-29-13-16-3-2-10-24(16)30(27,28)17-8-9-19-18(11-17)20(25)21(26)23(19)12-14-4-6-15(22)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/s1
InChIKey MBFCFVOWKKZRNA-INIZCTEOSA-N
Mol Weight 540.37 g/mol
Molecular Formula C21H21IN2O5S
Exact Mass 540.021588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOELioDO8oN
Name 5-[1'-(2"-{Methoxyoxymethyl}pyrrolidinyl)sulfonyl]-1-(p-iodobenzyl)-isatin
Alternate Name(s) 1-[(4-iodophenyl)methyl]-5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]indole-2,3-dione 1-[(4-iodophenyl)methyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione 1-[(4-iodophenyl)methyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione 1-[(4-iodophenyl)methyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-indole-2,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C21H21IN2O5S
InChI InChI=1S/C21H21IN2O5S/c1-29-13-16-3-2-10-24(16)30(27,28)17-8-9-19-18(11-17)20(25)21(26)23(19)12-14-4-6-15(22)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/s1
InChIKey MBFCFVOWKKZRNA-INIZCTEOSA-N
Molecular Weight 540.372 g/mol
SMILES [C@]1(N(S(c2cc3C(C(=O)N(c3cc2)Cc2ccc(I)cc2)=O)(=O)=O)CCC1)(COC)[H]
SPLASH splash10-0002-0000900000-7fb4692c6fc9bff9afef
Source of Spectrum AF-49-6711-25
Wiley ID 1694125