John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F26ygkJXicf SpectraBase Spectrum ID=J928GIP3ewv

(accessed ).
p-(3-phenethyl-2-thioureido)hippuric acid, propyl ester
SpectraBase Compound ID F26ygkJXicf
InChI InChI=1S/C21H25N3O3S/c1-2-14-27-19(25)15-23-20(26)17-8-10-18(11-9-17)24-21(28)22-13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,26)(H2,22,24,28)
InChIKey QWYOTNIJXPRGLG-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161664 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID J928GIP3ewv
Name p-(3-PHENETHYL-2-THIOUREIDO)HIPPURIC ACID, PROPYL ESTER
Source of Sample C. Drugarin & A. Boldea, University of Timisoara, Timisoara, Romania
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3S
InChI InChI=1S/C21H25N3O3S/c1-2-14-27-19(25)15-23-20(26)17-8-10-18(11-9-17)24-21(28)22-13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,26)(H2,22,24,28)
InChIKey QWYOTNIJXPRGLG-UHFFFAOYSA-N
Melting Point 120C
Molecular Weight 399.509003
SpectraBase Batch ID 5PCstoF3UeA
Synonyms HIPPURIC ACID, P-/3-PHENETHYL- 2-THIOUREIDO/-, PROPYL ESTER
Technique KBr WAFER