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2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-morpholinecarbodithioate

View entire compound with spectra: 2 NMR

2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-morpholinecarbodithioate
SpectraBase Compound ID 768E4qWFPcj
InChI InChI=1S/C20H19ClN2O3S2/c21-15-6-7-17(16(12-15)19(25)14-4-2-1-3-5-14)22-18(24)13-28-20(27)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,22,24)
InChIKey CIGAPUCZFRTXJE-UHFFFAOYSA-N
Mol Weight 434.96 g/mol
Molecular Formula C20H19ClN2O3S2
Exact Mass 434.052563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aVpaqCxScY
Name 2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-morpholinecarbodithioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.052562525 u
Formula C20H19ClN2O3S2
InChI InChI=1S/C20H19ClN2O3S2/c21-15-6-7-17(16(12-15)19(25)14-4-2-1-3-5-14)22-18(24)13-28-20(27)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,22,24)
InChIKey CIGAPUCZFRTXJE-UHFFFAOYSA-N
Molecular Weight 434.956 g/mol
SMILES N(C1=C(C(=O)C=2C=CC=CC2)C=C(C=C1)Cl)C(=O)CSC(N1CCOCC1)=S