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Ethyl 2-[(4-fluorobenzoyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Ethyl 2-[(4-fluorobenzoyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Ke0oOfwDlck
InChI InChI=1S/C23H28FNO3S/c1-5-23(3,4)15-9-12-17-18(13-15)29-21(19(17)22(27)28-6-2)25-20(26)14-7-10-16(24)11-8-14/h7-8,10-11,15H,5-6,9,12-13H2,1-4H3,(H,25,26)
InChIKey FNDOTKWFCPEELV-UHFFFAOYSA-N
Mol Weight 417.54 g/mol
Molecular Formula C23H28FNO3S
Exact Mass 417.177393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp7BJoKpjZA
Name Ethyl 2-[(4-fluorobenzoyl)amino]-6-tert-pentyl-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 417.177393100 u
Formula C23H28FNO3S
InChI InChI=1S/C23H28FNO3S/c1-5-23(3,4)15-9-12-17-18(13-15)29-21(19(17)22(27)28-6-2)25-20(26)14-7-10-16(24)11-8-14/h7-8,10-11,15H,5-6,9,12-13H2,1-4H3,(H,25,26)
InChIKey FNDOTKWFCPEELV-UHFFFAOYSA-N
Molecular Weight 417.539 g/mol
SMILES N(C1=C(C2=C(CC(CC2)C(CC)(C)C)S1)C(=O)OCC)C(C1=CC=C(C=C1)F)=O