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1H-Indole, 2-[2-(hydroxymethyl)-5-nitrobenzoyl]-1-(phenylsulfonyl)-
SpectraBase Compound ID 5GzXiSl6Knt
InChI InChI=1S/C22H16N2O6S/c25-14-16-10-11-17(24(27)28)13-19(16)22(26)21-12-15-6-4-5-9-20(15)23(21)31(29,30)18-7-2-1-3-8-18/h1-13,25H,14H2
InChIKey IOEFKJSFEBYLAN-UHFFFAOYSA-N
Mol Weight 436.44 g/mol
Molecular Formula C22H16N2O6S
Exact Mass 436.072907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vtrZ96D3w
Name 1H-Indole, 2-[2-(hydroxymethyl)-5-nitrobenzoyl]-1-(phenylsulfonyl)-
Alternate Name(s) [1-(benzenesulfonyl)-2-indolyl]-[2-(hydroxymethyl)-5-nitrophenyl]methanone [1-(benzenesulfonyl)indol-2-yl]-[2-(hydroxymethyl)-5-nitrophenyl]methanone [1-(benzenesulfonyl)indol-2-yl]-[2-(hydroxymethyl)-5-nitro-phenyl]methanone [2-(hydroxymethyl)-5-nitro-phenyl]-[1-(phenylsulfonyl)indol-2-yl]methanone
CAS Registry Number 88207-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N2O6S
InChI InChI=1S/C22H16N2O6S/c25-14-16-10-11-17(24(27)28)13-19(16)22(26)21-12-15-6-4-5-9-20(15)23(21)31(29,30)18-7-2-1-3-8-18/h1-13,25H,14H2
InChIKey IOEFKJSFEBYLAN-UHFFFAOYSA-N
Molecular Weight 436.438 g/mol
SMILES OCc1c(C(c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)=O)cc(N(=O)=O)cc1
SPLASH splash10-004i-9110000000-bfe70c356e818fc29e2f
Source of Spectrum KC-1983-2411-0
Wiley ID 1383435