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p-(3-phenethyl-2-thioureido)hippuric acid, butyl ester
SpectraBase Compound ID 8t2v8Xgc0oc
InChI InChI=1S/C22H27N3O3S/c1-2-3-15-28-20(26)16-24-21(27)18-9-11-19(12-10-18)25-22(29)23-14-13-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,24,27)(H2,23,25,29)
InChIKey IMBMWCLGBTWVKY-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 F5HLR4DbECU
Name p-(3-PHENETHYL-2-THIOUREIDO)HIPPURIC ACID, BUTYL 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/c1-2-3-15-28-20(26)16-24-21(27)18-9-11-19(12-10-18)25-22(29)23-14-13-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,24,27)(H2,23,25,29)
InChIKey IMBMWCLGBTWVKY-UHFFFAOYSA-N
Melting Point 114C
Molecular Weight 413.536011
Synonyms HIPPURIC ACID, P-/3-PHENETHYL- 2-THIOUREIDO/-, BUTYL ESTER
Technique KBr WAFER