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3-[4-(Benzenesulfonylamino)butyl]-6-(2-hydroxy-lmethyl)ethylazulene-1-carboxylic acid
SpectraBase Compound ID 8UTy5MCkb8W
InChI InChI=1S/C24H27NO5S/c1-17(16-26)18-10-12-21-19(15-23(24(27)28)22(21)13-11-18)7-5-6-14-25-31(29,30)20-8-3-2-4-9-20/h2-4,8-13,15,17,25-26H,5-7,14,16H2,1H3,(H,27,28)
InChIKey KZFRJADWYLKCTF-UHFFFAOYSA-N
Mol Weight 441.54 g/mol
Molecular Formula C24H27NO5S
Exact Mass 441.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QP0aT6nWwm
Name 3-[4-(Benzenesulfonylamino)butyl]-6-(2-hydroxy-lmethyl)ethylazulene-1-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C24H27NO5S
InChI InChI=1S/C24H27NO5S/c1-17(16-26)18-10-12-21-19(15-23(24(27)28)22(21)13-11-18)7-5-6-14-25-31(29,30)20-8-3-2-4-9-20/h2-4,8-13,15,17,25-26H,5-7,14,16H2,1H3,(H,27,28)
InChIKey KZFRJADWYLKCTF-UHFFFAOYSA-N
Molecular Weight 441.542 g/mol
SMILES OCC(c1ccc2c(c(C(=O)O)cc2CCCCNS(=O)(=O)c2ccccc2)cc1)C
SPLASH splash10-0002-0900000000-6af672920ad68ff865e4
Source of Spectrum G2-4-582-5a
Wiley ID 1661528