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1-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2-hydroxy-1-hydroxymethyl)ethylazulene
SpectraBase Compound ID HhNvyG2IFS8
InChI InChI=1S/C23H26ClNO4S/c24-21-9-11-22(12-10-21)30(28,29)25-14-2-1-3-18-6-7-19-5-4-17(8-13-23(18)19)20(15-26)16-27/h4-13,20,25-27H,1-3,14-16H2
InChIKey OXBLLOQCAOOKRF-UHFFFAOYSA-N
Mol Weight 447.98 g/mol
Molecular Formula C23H26ClNO4S
Exact Mass 447.127107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7PukmA0TAa
Name 1-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2-hydroxy-1-hydroxymethyl)ethylazulene
Comments Less than 3 mono-isotopic peaks
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Formula C23H26ClNO4S
InChI InChI=1S/C23H26ClNO4S/c24-21-9-11-22(12-10-21)30(28,29)25-14-2-1-3-18-6-7-19-5-4-17(8-13-23(18)19)20(15-26)16-27/h4-13,20,25-27H,1-3,14-16H2
InChIKey OXBLLOQCAOOKRF-UHFFFAOYSA-N
Molecular Weight 447.977 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2ccc(C(CO)CO)ccc2cc1
SPLASH splash10-03di-0900000000-d6dbb072ff725ddb1a9e
Source of Spectrum G2-4-588-28
Synonyms 4-Chloro-N-{4-[6-(2-hydroxy-1-hydroxymethyl-ethyl)-azulen-1-yl]-butyl}-benzenesulfonamide
Wiley ID 1661611