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alanine, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-,

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alanine, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-,
SpectraBase Compound ID 9GKFxTqmRep
InChI InChI=1S/C22H24F3N3O4S/c1-20(2,3)12-7-8-13-14(11-26)18(33-16(13)10-12)28-21(19(30)31-4,22(23,24)25)27-17(29)15-6-5-9-32-15/h5-6,9,12,28H,7-8,10H2,1-4H3,(H,27,29)
InChIKey DQJLUSKHHOWHMY-UHFFFAOYSA-N
Mol Weight 483.51 g/mol
Molecular Formula C22H24F3N3O4S
Exact Mass 483.143962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FsB4fiHTMfG
Name alanine, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.143961924 u
Formula C22H24F3N3O4S
InChI InChI=1S/C22H24F3N3O4S/c1-20(2,3)12-7-8-13-14(11-26)18(33-16(13)10-12)28-21(19(30)31-4,22(23,24)25)27-17(29)15-6-5-9-32-15/h5-6,9,12,28H,7-8,10H2,1-4H3,(H,27,29)
InChIKey DQJLUSKHHOWHMY-UHFFFAOYSA-N
Molecular Weight 483.506 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12229
Solvent DMSO-d6
Source Vendor ID: NMR/10260791; Lab Info: AU; Lab Number: AU-0000118