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4-Formimidoylbenzoic acid, N-[[(4-methylphenyl)sulfonyl]amino]-,T-butyl ester

View entire compound with spectra: 1 NMR

4-Formimidoylbenzoic acid, N-[[(4-methylphenyl)sulfonyl]amino]-,T-butyl ester
SpectraBase Compound ID pYIqmukBg0
InChI InChI=1S/C19H22N2O4S/c1-14-5-11-17(12-6-14)26(23,24)21-20-13-15-7-9-16(10-8-15)18(22)25-19(2,3)4/h5-13,21H,1-4H3/b20-13+
InChIKey KFXQTLLMRYCDHT-DEDYPNTBSA-N
Mol Weight 374.46 g/mol
Molecular Formula C19H22N2O4S
Exact Mass 374.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RQtBcwEjaw
Name 4-Formimidoylbenzoic acid, N-[[(4-methylphenyl)sulfonyl]amino]-,T-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.130028366 u
Formula C19H22N2O4S
InChI InChI=1S/C19H22N2O4S/c1-14-5-11-17(12-6-14)26(23,24)21-20-13-15-7-9-16(10-8-15)18(22)25-19(2,3)4/h5-13,21H,1-4H3/b20-13+
InChIKey KFXQTLLMRYCDHT-DEDYPNTBSA-N
Molecular Weight 374.455 g/mol
SMILES C1(\C=N\NS(=O)(=O)C2=CC=C(C=C2)C)=CC=C(C=C1)C(OC(C)(C)C)=O