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3-(Tosylamino)octanoic acid
SpectraBase Compound ID Hyr1c1yuSif
InChI InChI=1S/C15H23NO4S/c1-3-4-5-6-13(11-15(17)18)16-21(19,20)14-9-7-12(2)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3,(H,17,18)
InChIKey ICPWOGJHJWMVHE-UHFFFAOYSA-N
Mol Weight 313.41 g/mol
Molecular Formula C15H23NO4S
Exact Mass 313.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WfFDyg38Sp
Name 3-(Tosylamino)octanoic acid
Alternate Name(s) 3-{[(4-methylphenyl)sulfonyl]amino}octanoic acid
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Formula C15H23NO4S
InChI InChI=1S/C15H23NO4S/c1-3-4-5-6-13(11-15(17)18)16-21(19,20)14-9-7-12(2)8-10-14/h7-10,13,16H,3-6,11H2,1-2H3,(H,17,18)
InChIKey ICPWOGJHJWMVHE-UHFFFAOYSA-N
Molecular Weight 313.412 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(CC(=O)O)CCCCC
SPLASH splash10-052b-9540000000-d68f2dc1cc621006f444
Source of Spectrum H-79-1211-11
Wiley ID 1314129