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benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(4-pyridinylcarbonyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-,

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(4-pyridinylcarbonyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-,
SpectraBase Compound ID 2ovAQ6rivXz
InChI InChI=1S/C21H22F3N3O5S/c1-3-32-19(30)20(21(22,23)24,26-16(28)12-8-10-25-11-9-12)27-17-15(18(29)31-2)13-6-4-5-7-14(13)33-17/h8-11,27H,3-7H2,1-2H3,(H,26,28)
InChIKey ZKGXARCLKRCXHW-UHFFFAOYSA-N
Mol Weight 485.48 g/mol
Molecular Formula C21H22F3N3O5S
Exact Mass 485.123226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AH7g8nMYMfq
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(4-pyridinylcarbonyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.123226478 u
Formula C21H22F3N3O5S
InChI InChI=1S/C21H22F3N3O5S/c1-3-32-19(30)20(21(22,23)24,26-16(28)12-8-10-25-11-9-12)27-17-15(18(29)31-2)13-6-4-5-7-14(13)33-17/h8-11,27H,3-7H2,1-2H3,(H,26,28)
InChIKey ZKGXARCLKRCXHW-UHFFFAOYSA-N
Molecular Weight 485.478 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2301
Solvent DMSO-d6
Source Vendor ID: NMR/9233259; Lab Info: AU; Lab Number: AU-0000663
Temperature 29.85 °C