6-(2-Hydroxy-1-methyl)ethyl-3-[4-(4-trifluoromethylbenzenesulfonylamino)butyl]azulene-1-carboxylic acid

SpectraBase Compound ID	2s32IItTAwV
InChI	InChI=1S/C25H26F3NO5S/c1-16(15-30)17-5-11-21-18(14-23(24(31)32)22(21)12-6-17)4-2-3-13-29-35(33,34)20-9-7-19(8-10-20)25(26,27)28/h5-12,14,16,29-30H,2-4,13,15H2,1H3,(H,31,32)
InChIKey	XIISRTALBPLHGB-UHFFFAOYSA-N Google Search
Mol Weight	509.54 g/mol
Molecular Formula	C25H26F3NO5S
Exact Mass	509.148379 g/mol

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SpectraBase Spectrum ID	524dBemkrYi
Name	6-(2-Hydroxy-1-methyl)ethyl-3-[4-(4-trifluoromethylbenzenesulfonylamino)butyl]azulene-1-carboxylic acid
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H26F3NO5S
InChI	InChI=1S/C25H26F3NO5S/c1-16(15-30)17-5-11-21-18(14-23(24(31)32)22(21)12-6-17)4-2-3-13-29-35(33,34)20-9-7-19(8-10-20)25(26,27)28/h5-12,14,16,29-30H,2-4,13,15H2,1H3,(H,31,32)
InChIKey	XIISRTALBPLHGB-UHFFFAOYSA-N
Molecular Weight	509.540 g/mol
SMILES	OCC(c1ccc2c(c(C(=O)O)cc2CCCCNS(c2ccc(C(F)(F)F)cc2)(=O)=O)cc1)C
SPLASH	splash10-0002-0900000000-6af672920ad68ff865e4
Source of Spectrum	G2-4-582-5e
Wiley ID	1661525