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alanine, N-(3-cyano-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-, methyl ester

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alanine, N-(3-cyano-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-, methyl ester
SpectraBase Compound ID HABmZDO9f6R
InChI InChI=1S/C22H22F3N3O4S/c1-12-4-9-15-16(11-26)19(33-17(15)10-12)28-21(20(30)32-3,22(23,24)25)27-18(29)13-5-7-14(31-2)8-6-13/h5-8,12,28H,4,9-10H2,1-3H3,(H,27,29)
InChIKey ZFCITWKNLVIIOT-UHFFFAOYSA-N
Mol Weight 481.49 g/mol
Molecular Formula C22H22F3N3O4S
Exact Mass 481.128312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FcKR53CMT8T
Name alanine, N-(3-cyano-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.128311859 u
Formula C22H22F3N3O4S
InChI InChI=1S/C22H22F3N3O4S/c1-12-4-9-15-16(11-26)19(33-17(15)10-12)28-21(20(30)32-3,22(23,24)25)27-18(29)13-5-7-14(31-2)8-6-13/h5-8,12,28H,4,9-10H2,1-3H3,(H,27,29)
InChIKey ZFCITWKNLVIIOT-UHFFFAOYSA-N
Molecular Weight 481.490 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12910
Solvent DMSO-d6
Source Vendor ID: NMR/10260780; Lab Info: AU; Lab Number: AU-0000107