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4-[({(2Z)-3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid

View entire compound with spectra: 2 NMR

4-[({(2Z)-3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID FZtTpDpsIay
InChI InChI=1S/C28H27N3O7S/c1-36-21-11-9-20(10-12-21)30-28-31(16-17-4-13-22(37-2)23(14-17)38-3)25(32)15-24(39-28)26(33)29-19-7-5-18(6-8-19)27(34)35/h4-14,24H,15-16H2,1-3H3,(H,29,33)(H,34,35)/b30-28-
InChIKey QRWYISYITLLPOD-HYOGKJQXSA-N
Mol Weight 549.6 g/mol
Molecular Formula C28H27N3O7S
Exact Mass 549.156971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eBH8D83Kr1
Name 4-[({(2Z)-3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.156971388 u
Formula C28H27N3O7S
InChI InChI=1S/C28H27N3O7S/c1-36-21-11-9-20(10-12-21)30-28-31(16-17-4-13-22(37-2)23(14-17)38-3)25(32)15-24(39-28)26(33)29-19-7-5-18(6-8-19)27(34)35/h4-14,24H,15-16H2,1-3H3,(H,29,33)(H,34,35)/b30-28-
InChIKey QRWYISYITLLPOD-HYOGKJQXSA-N
Molecular Weight 549.598 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\C1=CC=C(C=C1)OC)CC=1C=C(OC)C(=CC1)OC)=O)=O)C1=CC=C(C(=O)O)C=C1