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3-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(1-hydroxy-1-methyl)ethylazulene-1-carboxylic acid
SpectraBase Compound ID 1Pse7DLYMDA
InChI InChI=1S/C24H26ClNO5S/c1-24(2,29)17-6-12-20-16(15-22(23(27)28)21(20)13-7-17)5-3-4-14-26-32(30,31)19-10-8-18(25)9-11-19/h6-13,15,26,29H,3-5,14H2,1-2H3,(H,27,28)
InChIKey UQRNPZLSZQIXNT-UHFFFAOYSA-N
Mol Weight 475.99 g/mol
Molecular Formula C24H26ClNO5S
Exact Mass 475.122022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RgLSkJodvs
Name 3-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(1-hydroxy-1-methyl)ethylazulene-1-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C24H26ClNO5S
InChI InChI=1S/C24H26ClNO5S/c1-24(2,29)17-6-12-20-16(15-22(23(27)28)21(20)13-7-17)5-3-4-14-26-32(30,31)19-10-8-18(25)9-11-19/h6-13,15,26,29H,3-5,14H2,1-2H3,(H,27,28)
InChIKey UQRNPZLSZQIXNT-UHFFFAOYSA-N
Molecular Weight 475.987 g/mol
SMILES OC(c1ccc2c(c(C(=O)O)cc2CCCCNS(c2ccc(cc2)Cl)(=O)=O)cc1)(C)C
SPLASH splash10-00di-9000000000-fa802a2a89fb979b26fe
Source of Spectrum G2-4-585-10c
Wiley ID 1661520