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2-methoxyethyl 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

2-methoxyethyl 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID JPsqriVRZRD
InChI InChI=1S/C18H20F3N3O4S/c1-24-11(9-13(23-24)18(19,20)21)15(25)22-16-14(17(26)28-8-7-27-2)10-5-3-4-6-12(10)29-16/h9H,3-8H2,1-2H3,(H,22,25)
InChIKey MLSBSBFYIMYCNQ-UHFFFAOYSA-N
Mol Weight 431.43 g/mol
Molecular Formula C18H20F3N3O4S
Exact Mass 431.112662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65SH7CZhnzV
Name 2-Methoxyethyl 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.112661795 u
Formula C18H20F3N3O4S
InChI InChI=1S/C18H20F3N3O4S/c1-24-11(9-13(23-24)18(19,20)21)15(25)22-16-14(17(26)28-8-7-27-2)10-5-3-4-6-12(10)29-16/h9H,3-8H2,1-2H3,(H,22,25)
InChIKey MLSBSBFYIMYCNQ-UHFFFAOYSA-N
Molecular Weight 431.430 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCCOC)C(C1=CC(C(F)(F)F)=NN1C)=O