For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl [4-({[(2,2-dimethoxyethyl)amino]carbothioyl}amino)phenyl]acetate

View entire compound with spectra: 2 NMR

Methyl [4-({[(2,2-dimethoxyethyl)amino]carbothioyl}amino)phenyl]acetate
SpectraBase Compound ID FlkPSv8aYbC
InChI InChI=1S/C14H20N2O4S/c1-18-12(17)8-10-4-6-11(7-5-10)16-14(21)15-9-13(19-2)20-3/h4-7,13H,8-9H2,1-3H3,(H2,15,16,21)
InChIKey FOCNXXVNASIRRZ-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C14H20N2O4S
Exact Mass 312.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JqLV1CqZiC7
Name Methyl [4-({[(2,2-dimethoxyethyl)amino]carbothioyl}amino)phenyl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.114378302 u
Formula C14H20N2O4S
InChI InChI=1S/C14H20N2O4S/c1-18-12(17)8-10-4-6-11(7-5-10)16-14(21)15-9-13(19-2)20-3/h4-7,13H,8-9H2,1-3H3,(H2,15,16,21)
InChIKey FOCNXXVNASIRRZ-UHFFFAOYSA-N
Molecular Weight 312.384 g/mol
SMILES N(C(=S)NCC(OC)OC)C=1C=CC(CC(=O)OC)=CC1