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Methyl 3-[4-(4-chlorobenzenesulfonylamino) butyl]-6-(isopropenyl)azulene-1-carboxylate
SpectraBase Compound ID CuPPYlZgbyI
InChI InChI=1S/C25H26ClNO4S/c1-17(2)18-7-13-22-19(16-24(25(28)31-3)23(22)14-8-18)6-4-5-15-27-32(29,30)21-11-9-20(26)10-12-21/h7-14,16,27H,1,4-6,15H2,2-3H3
InChIKey MQUVZYFFOIRSAT-UHFFFAOYSA-N
Mol Weight 472.0 g/mol
Molecular Formula C25H26ClNO4S
Exact Mass 471.127107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7c1j9pV93S
Name Methyl 3-[4-(4-chlorobenzenesulfonylamino) butyl]-6-(isopropenyl)azulene-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C25H26ClNO4S
InChI InChI=1S/C25H26ClNO4S/c1-17(2)18-7-13-22-19(16-24(25(28)31-3)23(22)14-8-18)6-4-5-15-27-32(29,30)21-11-9-20(26)10-12-21/h7-14,16,27H,1,4-6,15H2,2-3H3
InChIKey MQUVZYFFOIRSAT-UHFFFAOYSA-N
Molecular Weight 471.999 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2c(c(c1)C(=O)OC)ccc(C(=C)C)cc2
SPLASH splash10-000i-0090000000-4e23218eeb13cab451b2
Source of Spectrum G2-4-582-3c
Wiley ID 1661531