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3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide

View entire compound with spectra: 2 NMR

3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
SpectraBase Compound ID CFzyFfwznoZ
InChI InChI=1S/C15H17Cl3N2O4S2/c1-22-9-6-8(7-10(23-2)11(9)24-3)12(21)20-13(15(16,17)18)26-14-19-4-5-25-14/h6-7,13H,4-5H2,1-3H3,(H,20,21)
InChIKey GARUZHOZSQBLCS-UHFFFAOYSA-N
Mol Weight 459.79 g/mol
Molecular Formula C15H17Cl3N2O4S2
Exact Mass 457.969532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3d2CbreeS9j
Name 3,4,5-Trimethoxy-N-[2,2,2-trichloro-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.969532479 u
Formula C15H17Cl3N2O4S2
InChI InChI=1S/C15H17Cl3N2O4S2/c1-22-9-6-8(7-10(23-2)11(9)24-3)12(21)20-13(15(16,17)18)26-14-19-4-5-25-14/h6-7,13H,4-5H2,1-3H3,(H,20,21)
InChIKey GARUZHOZSQBLCS-UHFFFAOYSA-N
Molecular Weight 459.790 g/mol
SMILES N(C(SC1=NCCS1)C(Cl)(Cl)Cl)C(C1=CC(OC)=C(C(=C1)OC)OC)=O