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

*Links on SpectraBase are not permalinks.

2-[[2-(2,4-Dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 2 MS (GC)

2-[[2-(2,4-Dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID NnDLFhrkT4
InChI InChI=1S/C21H24Cl2N2O5S/c1-5-25(6-2)20(27)18-12(4)17(21(28)29-7-3)19(31-18)24-16(26)11-30-15-9-8-13(22)10-14(15)23/h8-10H,5-7,11H2,1-4H3,(H,24,26)
InChIKey NCHXBOQQNMRIAI-UHFFFAOYSA-N
Mol Weight 487.4 g/mol
Molecular Formula C21H24Cl2N2O5S
Exact Mass 486.078298 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 6km2UKkdeX
Name 2-[[2-(2,4-Dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.078298450 u
Formula C21H24Cl2N2O5S
InChI InChI=1S/C21H24Cl2N2O5S/c1-5-25(6-2)20(27)18-12(4)17(21(28)29-7-3)19(31-18)24-16(26)11-30-15-9-8-13(22)10-14(15)23/h8-10H,5-7,11H2,1-4H3,(H,24,26)
InChIKey NCHXBOQQNMRIAI-UHFFFAOYSA-N
Molecular Weight 487.398 g/mol
SMILES C1(=C(C(C(=O)OCC)=C(S1)NC(=O)COC=1C(=CC(=CC1)Cl)Cl)C)C(N(CC)CC)=O