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5-[(3,5-DIMETHYL-4-ISOXAZOLYL)CARBONYL]-4,5,6,7-TETRAHYDRO-4-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)THIENO[3,2-c]PYRIDINE

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5-[(3,5-DIMETHYL-4-ISOXAZOLYL)CARBONYL]-4,5,6,7-TETRAHYDRO-4-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)THIENO[3,2-c]PYRIDINE
SpectraBase Compound ID 6LueJnJhRYY
InChI InChI=1S/C20H17F3N2O2S/c1-11-17(12(2)27-24-11)19(26)25-9-7-16-15(8-10-28-16)18(25)13-3-5-14(6-4-13)20(21,22)23/h3-6,8,10,18H,7,9H2,1-2H3
InChIKey PIFYUFBTEDWLPC-UHFFFAOYSA-N
Mol Weight 406.42 g/mol
Molecular Formula C20H17F3N2O2S
Exact Mass 406.096283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDR4X9Rspmo
Name 5-(3,5-Dimethyl-4-isoxazolyl)carbonyl]-4,5,6,7-tetrahydro-4-(alpha,alpha,alpha-trifluoro-p-tolyl)thieno[3,2-C]pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.096283456 u
Formula C20H17F3N2O2S
InChI InChI=1S/C20H17F3N2O2S/c1-11-17(12(2)27-24-11)19(26)25-9-7-16-15(8-10-28-16)18(25)13-3-5-14(6-4-13)20(21,22)23/h3-6,8,10,18H,7,9H2,1-2H3
InChIKey PIFYUFBTEDWLPC-UHFFFAOYSA-N
Molecular Weight 406.423 g/mol
SMILES C(F)(F)(F)C1=CC=C(C=C1)C1N(C(C=2C(=NOC2C)C)=O)CCC2=C1C=CS2