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thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-6-methyl-,

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thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino]-4,5,6,7-tetrahydro-6-methyl-,
SpectraBase Compound ID 72nIO8kgwEw
InChI InChI=1S/C22H24F3N3O5S/c1-4-33-20(31)21(22(23,24)25,26-17(29)13-8-6-5-7-9-13)27-18-16(19(30)32-3)14-10-11-28(2)12-15(14)34-18/h5-9,27H,4,10-12H2,1-3H3,(H,26,29)
InChIKey IPHBNPIONPTRGN-UHFFFAOYSA-N
Mol Weight 499.51 g/mol
Molecular Formula C22H24F3N3O5S
Exact Mass 499.138877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HrvgeDatKUT
Name thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[1-(benzoylamino)-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]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 499.138876543 u
Formula C22H24F3N3O5S
InChI InChI=1S/C22H24F3N3O5S/c1-4-33-20(31)21(22(23,24)25,26-17(29)13-8-6-5-7-9-13)27-18-16(19(30)32-3)14-10-11-28(2)12-15(14)34-18/h5-9,27H,4,10-12H2,1-3H3,(H,26,29)
InChIKey IPHBNPIONPTRGN-UHFFFAOYSA-N
Molecular Weight 499.505 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9792
Solvent DMSO-d6
Source Vendor ID: NMR/10241229; Lab Info: AU; Lab Number: AU-T000984
Temperature 29.85 °C