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1-Ethoxy-3-[5-methoxy-3-(4-toluenesulfonyl)-1H-indol-4-yl]propan-2-ol
SpectraBase Compound ID AAYaBsEOEPz
InChI InChI=1S/C21H25NO5S/c1-4-27-13-15(23)11-17-19(26-3)10-9-18-21(17)20(12-22-18)28(24,25)16-7-5-14(2)6-8-16/h5-10,12,15,22-23H,4,11,13H2,1-3H3
InChIKey CXMQSLLZZGDOCG-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wAJYVYtkNa
Name 1-Ethoxy-3-[5-methoxy-3-(4-toluenesulfonyl)-1H-indol-4-yl]propan-2-ol
Alternate Name(s) 1-Ethoxy-3-{5-methoxy-3-[(4-methylphenyl)sulfonyl]-1H-indol-4-yl}-2-propanol 1-Ethoxy-3-[5-methoxy-3-(4-methylphenyl)sulfonyl-1H-indol-4-yl]-2-propanol 1-Ethoxy-3-[5-methoxy-3-(p-tolylsulfonyl)-1H-indol-4-yl]propan-2-ol 1-Ethoxy-3-[5-methoxy-3-(4-methylphenyl)sulfonyl-1H-indol-4-yl]propan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-4-27-13-15(23)11-17-19(26-3)10-9-18-21(17)20(12-22-18)28(24,25)16-7-5-14(2)6-8-16/h5-10,12,15,22-23H,4,11,13H2,1-3H3
InChIKey CXMQSLLZZGDOCG-UHFFFAOYSA-N
Molecular Weight 403.493 g/mol
SMILES [nH]1c2c(c(CC(O)COCC)c(cc2)OC)c(S(c2ccc(cc2)C)(=O)=O)c1
SPLASH splash10-014i-0509000000-cd2638852dc4abd06636
Source of Spectrum F-53-208-24
Wiley ID 799864