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4-(methylthio)-2-[3-(p-tolylsulfonyl)ureido]butyric acid

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(methylthio)-2-[3-(p-tolylsulfonyl)ureido]butyric acid
SpectraBase Compound ID B6XSVfmPK70
InChI InChI=1S/C13H18N2O5S2/c1-9-3-5-10(6-4-9)22(19,20)15-13(18)14-11(12(16)17)7-8-21-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKey NPEDQZZOGLHKHE-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C13H18N2O5S2
Exact Mass 346.065714 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HSaQean8GQ0
Name 4-(METHYLTHIO)-2-[3-(p-TOLYLSULFONYL)UREIDO]BUTYRIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S40083
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O5S2
InChI InChI=1S/C13H18N2O5S2/c1-9-3-5-10(6-4-9)22(19,20)15-13(18)14-11(12(16)17)7-8-21-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKey NPEDQZZOGLHKHE-UHFFFAOYSA-N
Molecular Weight 346.415985
Synonyms BUTYRIC ACID, 4-/METHYLTHIO/- 2-/3-/P-TOLYLSULFONYL/UREIDO/-,
Technique FILM (CAST FROM ACETONE)