John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Kmyw0UFZO4t SpectraBase Spectrum ID=DTeTWfttAAo

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p-(3-benzyl-2-thioureido)hippuric acid, hexyl ester
SpectraBase Compound ID Kmyw0UFZO4t
InChI InChI=1S/C23H29N3O3S/c1-2-3-4-8-15-29-21(27)17-24-22(28)19-11-13-20(14-12-19)26-23(30)25-16-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,24,28)(H2,25,26,30)
InChIKey CLGXXXOQKYCBFR-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C23H29N3O3S
Exact Mass 427.192964 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTeTWfttAAo
Name p-(3-benzyl-2-thioureido)hippuric acid, hexyl ester
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Formula C23H29N3O3S
InChI InChI=1S/C23H29N3O3S/c1-2-3-4-8-15-29-21(27)17-24-22(28)19-11-13-20(14-12-19)26-23(30)25-16-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,24,28)(H2,25,26,30)
InChIKey CLGXXXOQKYCBFR-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 28182M
Solvent Polysol
SpectraBase Batch ID FfT8B1muZsA