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p-(3-benzyl-2-thioureido)hippuric acid, pentyl ester
SpectraBase Compound ID 7IzWlytVAAd
InChI InChI=1S/C22H27N3O3S/c1-2-3-7-14-28-20(26)16-23-21(27)18-10-12-19(13-11-18)25-22(29)24-15-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,23,27)(H2,24,25,29)
InChIKey ZMKASHHGHVHOOC-UHFFFAOYSA-N
Mol Weight 413.54 g/mol
Molecular Formula C22H27N3O3S
Exact Mass 413.177313 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FWCqCBxNEqA
Name p-(3-BENZYL-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 C22H27N3O3S
InChI InChI=1S/C22H27N3O3S/c1-2-3-7-14-28-20(26)16-23-21(27)18-10-12-19(13-11-18)25-22(29)24-15-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-16H2,1H3,(H,23,27)(H2,24,25,29)
InChIKey ZMKASHHGHVHOOC-UHFFFAOYSA-N
Melting Point 120C
Molecular Weight 413.536011
Synonyms HIPPURIC ACID, P-/3-BENZYL-2-THIO- UREIDO/-, PENTYL ESTER
Technique KBr WAFER