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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-[(4-methoxybenzoyl)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-[(4-methoxybenzoyl)amino]-,
SpectraBase Compound ID 1pb3nVVIp9P
InChI InChI=1S/C25H28F3N3O4S/c1-23(2,3)15-8-11-17-18(13-29)21(36-19(17)12-15)31-24(22(33)35-5,25(26,27)28)30-20(32)14-6-9-16(34-4)10-7-14/h6-7,9-10,15,31H,8,11-12H2,1-5H3,(H,30,32)
InChIKey BHSHQFHLRUBLPQ-UHFFFAOYSA-N
Mol Weight 523.57 g/mol
Molecular Formula C25H28F3N3O4S
Exact Mass 523.175262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98ptRFZ4Bdo
Name alanine, N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(4-methoxybenzoyl)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 523.175262053 u
Formula C25H28F3N3O4S
InChI InChI=1S/C25H28F3N3O4S/c1-23(2,3)15-8-11-17-18(13-29)21(36-19(17)12-15)31-24(22(33)35-5,25(26,27)28)30-20(32)14-6-9-16(34-4)10-7-14/h6-7,9-10,15,31H,8,11-12H2,1-5H3,(H,30,32)
InChIKey BHSHQFHLRUBLPQ-UHFFFAOYSA-N
Molecular Weight 523.571 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12226
Solvent DMSO-d6
Source Vendor ID: NMR/10260787; Lab Info: AU; Lab Number: AU-0000114