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(4-{[(4-tert-butylphenyl)sulfonyl]amino}phenoxy)acetic acid
SpectraBase Compound ID 6VSyO8bbpMG
InChI InChI=1S/C18H21NO5S/c1-18(2,3)13-4-10-16(11-5-13)25(22,23)19-14-6-8-15(9-7-14)24-12-17(20)21/h4-11,19H,12H2,1-3H3,(H,20,21)
InChIKey IGJMLVNQBGCWEB-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C18H21NO5S
Exact Mass 363.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY6rg1TwDlB
Name (4-{[(4-tert-butylphenyl)sulfonyl]amino}phenoxy)acetic acid
Alternate Name(s) 2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]acetic acid 2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]ethanoic acid
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Formula C18H21NO5S
InChI InChI=1S/C18H21NO5S/c1-18(2,3)13-4-10-16(11-5-13)25(22,23)19-14-6-8-15(9-7-14)24-12-17(20)21/h4-11,19H,12H2,1-3H3,(H,20,21)
InChIKey IGJMLVNQBGCWEB-UHFFFAOYSA-N
Molecular Weight 363.428 g/mol
SMILES N(S(c1ccc(C(C)(C)C)cc1)(=O)=O)c1ccc(OCC(=O)O)cc1
SPLASH splash10-066r-4900000000-61a3b6e395e4f9c4bbb8
Wiley ID 1442816