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(3RS)-3-(Acetoxymethyl)-5-(acetoxyamino)1-(benzenesulfonyl)-6-(benzyloxy)-4-iodo-2,3-dihydro-1H-indole
SpectraBase Compound ID C8dUzexdHmV
InChI InChI=1S/C26H25IN2O6S/c1-17(30)28-26-23(35-15-19-9-5-3-6-10-19)13-22-24(25(26)27)20(16-34-18(2)31)14-29(22)36(32,33)21-11-7-4-8-12-21/h3-13,20H,14-16H2,1-2H3,(H,28,30)
InChIKey WBLGGRMEAAEXMH-UHFFFAOYSA-N
Mol Weight 620.46 g/mol
Molecular Formula C26H25IN2O6S
Exact Mass 620.047803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xvOTMfTpw
Name (3RS)-3-(Acetoxymethyl)-5-(acetoxyamino)1-(benzenesulfonyl)-6-(benzyloxy)-4-iodo-2,3-dihydro-1H-indole
Alternate Name(s) Acetic acid [5-acetamido-1-(benzenesulfonyl)-4-iodo-6-phenylmethoxy-2,3-dihydroindol-3-yl]methyl ester [5-acetamido-1-(benzenesulfonyl)-4-iodo-6-phenylmethoxy-2,3-dihydroindol-3-yl]methyl acetate [5-acetamido-1-(benzenesulfonyl)-6-benzyloxy-4-iodo-indolin-3-yl]methyl acetate [5-acetamido-4-iodanyl-6-phenylmethoxy-1-(phenylsulfonyl)-2,3-dihydroindol-3-yl]methyl ethanoate
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Formula C26H25IN2O6S
InChI InChI=1S/C26H25IN2O6S/c1-17(30)28-26-23(35-15-19-9-5-3-6-10-19)13-22-24(25(26)27)20(16-34-18(2)31)14-29(22)36(32,33)21-11-7-4-8-12-21/h3-13,20H,14-16H2,1-2H3,(H,28,30)
InChIKey WBLGGRMEAAEXMH-UHFFFAOYSA-N
Molecular Weight 620.458 g/mol
SMILES N(c1c(cc2N(S(=O)(=O)c3ccccc3)CC(COC(=O)C)c2c1I)OCc1ccccc1)C(=O)C
SPLASH splash10-0096-9000806000-cc947d33cb6db8fccf79
Source of Spectrum J-59-195-11
Wiley ID 1411508