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1H-Indole, 2-[[2-(hydroxymethyl)-3-pyridinyl]carbonyl]-1-(phenylsulfonyl)-
SpectraBase Compound ID 5YBx1xt8wOA
InChI InChI=1S/C21H16N2O4S/c24-14-18-17(10-6-12-22-18)21(25)20-13-15-7-4-5-11-19(15)23(20)28(26,27)16-8-2-1-3-9-16/h1-13,24H,14H2
InChIKey OPJTVNUFHUDLNX-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C21H16N2O4S
Exact Mass 392.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdoGVzZrJLn
Name 1H-Indole, 2-[[2-(hydroxymethyl)-3-pyridinyl]carbonyl]-1-(phenylsulfonyl)-
Alternate Name(s) 1-(Phenylsulfonyl)-2-(2-hydroxymethylpyridin-3-oyl)-2,3-dihydroindole [2-(hydroxymethyl)-3-pyridinyl][1-(phenylsulfonyl)-1H-indol-2-yl]methanone
CAS Registry Number 81675-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O4S
InChI InChI=1S/C21H16N2O4S/c24-14-18-17(10-6-12-22-18)21(25)20-13-15-7-4-5-11-19(15)23(20)28(26,27)16-8-2-1-3-9-16/h1-13,24H,14H2
InChIKey OPJTVNUFHUDLNX-UHFFFAOYSA-N
Molecular Weight 392.429 g/mol
SMILES OCc1c(C(c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)=O)cccn1
SPLASH splash10-0ue9-1390000000-3e3b0603af802224c8b8
Source of Spectrum KC-1982-438-0
Wiley ID 1365749