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1,3-Bis(benzyloxycarbonyl)-2-methyl-2-thiopseudourea

View entire compound with spectra: 2 NMR, and 1 FTIR

1,3-Bis(benzyloxycarbonyl)-2-methyl-2-thiopseudourea
SpectraBase Compound ID 3icICjGMZDQ
InChI InChI=1S/C18H18N2O4S/c1-25-16(19-17(21)23-12-14-8-4-2-5-9-14)20-18(22)24-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20,21,22)
InChIKey CGAMNSKIHXUDMK-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C18H18N2O4S
Exact Mass 358.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JZO1P95fvfA
Name 1,3-Bis(benzyloxycarbonyl)-2-methyl-2-thiopseudourea
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 458783
CAS Registry Number 25508-20-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4S
InChI InChI=1S/C18H18N2O4S/c1-25-16(19-17(21)23-12-14-8-4-2-5-9-14)20-18(22)24-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20,21,22)
InChIKey CGAMNSKIHXUDMK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea; 2-Methyl-1,3-di-Z-isothiourea
Wiley ID SIAL_13CNMR_010108