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(4-{[(4-tert-butylphenyl)sulfonyl]amino}phenoxy)acetic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABJnjDm05EA
Name (4-{[(4-tert-butylphenyl)sulfonyl]amino}phenoxy)acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 363.114043949 u
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 CC(C1=CC=C(S(NC2=CC=C(OCC(=O)O)C=C2)(=O)=O)C=C1)(C)C