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2-(Benzyloxymethyl)-5-chloro-3-(phenylsulfonyl)-1H-indole
SpectraBase Compound ID DQjfxWJ0hro
InChI InChI=1S/C22H18ClNO3S/c23-17-11-12-20-19(13-17)22(28(25,26)18-9-5-2-6-10-18)21(24-20)15-27-14-16-7-3-1-4-8-16/h1-13,24H,14-15H2
InChIKey ORCFGCFHKMFQGK-UHFFFAOYSA-N
Mol Weight 411.9 g/mol
Molecular Formula C22H18ClNO3S
Exact Mass 411.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BurN9xgyXpM
Name 2-(Benzyloxymethyl)-5-chloro-3-(phenylsulfonyl)-1H-indole
Alternate Name(s) 2-(Benzyloxymethyl)-5-chloro-3-(phenylsulfonyl)-1Hindole 2-((benzyloxy)methyl)-5-chloro-3-(phenylsulfonyl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClNO3S
InChI InChI=1S/C22H18ClNO3S/c23-17-11-12-20-19(13-17)22(28(25,26)18-9-5-2-6-10-18)21(24-20)15-27-14-16-7-3-1-4-8-16/h1-13,24H,14-15H2
InChIKey ORCFGCFHKMFQGK-UHFFFAOYSA-N
Molecular Weight 411.903 g/mol
SMILES [nH]1c2c(c(c1COCc1ccccc1)S(=O)(=O)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0abc-4009200000-447a653399ed2f8e9ef8
Source of Spectrum J-24-392-7
Wiley ID 1741704