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p-(3-phenyl-2-thioureido)hippuric acid, pentyl ester

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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3hdkab1wFKz
Name p-(3-PHENYL-2-THIOUREIDO)HIPPURIC ACID, PENTYL ESTER
Source of Sample C. Drugarin & A. Boldea, University of Timisoara, Timisoara, Romania
Copyright Copyright © 1980, 1981-2024 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
Melting Point 155.5C
Molecular Weight 399.509003
Synonyms HIPPURIC ACID, P-/3-PHENYL-2-THIO- UREIDO/-, PENTYL ESTER
Technique KBr WAFER