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p-(3-Phenyl-2-thioureido)hippuric acid, butyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

p-(3-Phenyl-2-thioureido)hippuric acid, butyl ester
SpectraBase Compound ID H7xRxSH7DD5
InChI InChI=1S/C20H23N3O3S/c1-2-3-13-26-18(24)14-21-19(25)15-9-11-17(12-10-15)23-20(27)22-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,21,25)(H2,22,23,27)
InChIKey LWJUUDCOXMNOMZ-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C20H23N3O3S
Exact Mass 385.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57qeir0hEnA
Name p-(3-Phenyl-2-thioureido)hippuric acid, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.146012784 u
Formula C20H23N3O3S
InChI InChI=1S/C20H23N3O3S/c1-2-3-13-26-18(24)14-21-19(25)15-9-11-17(12-10-15)23-20(27)22-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,21,25)(H2,22,23,27)
InChIKey LWJUUDCOXMNOMZ-UHFFFAOYSA-N
Molecular Weight 385.482 g/mol
SMILES N(C1=CC=CC=C1)C(NC=1C=CC(C(NCC(OCCCC)=O)=O)=CC1)=S