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p-(3-phenyl-2-thioureido)hippuric acid, pentyl ester
SpectraBase Compound ID LkWwa0BXEk3
InChI InChI=1S/C21H25N3O3S/c1-2-3-7-14-27-19(25)15-22-20(26)16-10-12-18(13-11-16)24-21(28)23-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,26)(H2,23,24,28)
InChIKey WEFMMHOWWPKMLJ-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID caBAw3sH8c
Name p-(3-phenyl-2-thioureido)hippuric acid, pentyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3S
InChI InChI=1S/C21H25N3O3S/c1-2-3-7-14-27-19(25)15-22-20(26)16-10-12-18(13-11-16)24-21(28)23-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,26)(H2,23,24,28)
InChIKey WEFMMHOWWPKMLJ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 28170M
Solvent Polysol