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

*Links on SpectraBase are not permalinks.
4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)butanamide
SpectraBase Compound ID GyP5PrwTgYU
InChI InChI=1S/C18H21ClN2O3S2/c1-2-20(10-11-22)16(23)8-5-9-21-17(24)15(26-18(21)25)12-13-6-3-4-7-14(13)19/h3-4,6-7,12,22H,2,5,8-11H2,1H3/b15-12-
InChIKey FGMHVPXUCIBDTD-QINSGFPZSA-N
Mol Weight 412.95 g/mol
Molecular Formula C18H21ClN2O3S2
Exact Mass 412.068213 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 8OQm6LKFoPt
Name 4-[(5Z)-5-(2-Chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.068212589 u
Formula C18H21ClN2O3S2
InChI InChI=1S/C18H21ClN2O3S2/c1-2-20(10-11-22)16(23)8-5-9-21-17(24)15(26-18(21)25)12-13-6-3-4-7-14(13)19/h3-4,6-7,12,22H,2,5,8-11H2,1H3/b15-12-
InChIKey FGMHVPXUCIBDTD-QINSGFPZSA-N
Molecular Weight 412.950 g/mol
SMILES OCCN(C(CCCN1C(S\C(C1=O)=C\C=1C(Cl)=CC=CC1)=S)=O)CC