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(5-amino-6-benzoxy-1-besyl-4-iodo-indolin-3-yl)methanol
SpectraBase Compound ID C9EJEO3ksNB
InChI InChI=1S/C22H21IN2O4S/c23-21-20-16(13-26)12-25(30(27,28)17-9-5-2-6-10-17)18(20)11-19(22(21)24)29-14-15-7-3-1-4-8-15/h1-11,16,26H,12-14,24H2
InChIKey CQKJTSBVVBDPGE-UHFFFAOYSA-N
Mol Weight 536.38 g/mol
Molecular Formula C22H21IN2O4S
Exact Mass 536.026673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23ARQAUeXo
Name (5-amino-6-benzoxy-1-besyl-4-iodo-indolin-3-yl)methanol
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Formula C22H21IN2O4S
InChI InChI=1S/C22H21IN2O4S/c23-21-20-16(13-26)12-25(30(27,28)17-9-5-2-6-10-17)18(20)11-19(22(21)24)29-14-15-7-3-1-4-8-15/h1-11,16,26H,12-14,24H2
InChIKey CQKJTSBVVBDPGE-UHFFFAOYSA-N
Molecular Weight 536.384 g/mol
SMILES Nc1c(c2c(N(CC2CO)S(=O)(=O)c2ccccc2)cc1OCc1ccccc1)I
SPLASH splash10-0005-8009030000-fdfb49c1e3f90f82914f
Source of Spectrum J-59-195-11
Synonyms [5-amino-1-(benzenesulfonyl)-4-iodo-6-phenylmethoxy-2,3-dihydroindol-3-yl]methanol [5-amino-1-(benzenesulfonyl)-6-benzyloxy-4-iodo-indolin-3-yl]methanol [5-azanyl-4-iodanyl-6-phenylmethoxy-1-(phenylsulfonyl)-2,3-dihydroindol-3-yl]methanol
Wiley ID 1404009