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thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(1-oxopropyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-6-methyl-,
SpectraBase Compound ID DQuwDqfzi2M
InChI InChI=1S/C18H24F3N3O5S/c1-5-12(25)22-17(18(19,20)21,16(27)29-6-2)23-14-13(15(26)28-4)10-7-8-24(3)9-11(10)30-14/h23H,5-9H2,1-4H3,(H,22,25)
InChIKey MXMVIVWJZGWYJN-UHFFFAOYSA-N
Mol Weight 451.46 g/mol
Molecular Formula C18H24F3N3O5S
Exact Mass 451.138877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DJgYZtNBsQu
Name thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(1-oxopropyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-6-methyl-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.138876543 u
Formula C18H24F3N3O5S
InChI InChI=1S/C18H24F3N3O5S/c1-5-12(25)22-17(18(19,20)21,16(27)29-6-2)23-14-13(15(26)28-4)10-7-8-24(3)9-11(10)30-14/h23H,5-9H2,1-4H3,(H,22,25)
InChIKey MXMVIVWJZGWYJN-UHFFFAOYSA-N
Molecular Weight 451.461 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9794
Solvent DMSO-d6
Source Vendor ID: NMR/10241231; Lab Info: AU; Lab Number: AU-T000988
Temperature 29.85 °C