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benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-2-cyano-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-2-cyano-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 3bxQUZTkQZx
InChI InChI=1S/C24H26N2O3S/c1-4-29-24(28)21-19-7-5-6-8-20(19)30-23(21)26-22(27)18(14-25)13-16-9-11-17(12-10-16)15(2)3/h9-13,15H,4-8H2,1-3H3,(H,26,27)/b18-13+
InChIKey ALYILYVMLJHSEJ-QGOAFFKASA-N
Mol Weight 422.54 g/mol
Molecular Formula C24H26N2O3S
Exact Mass 422.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BVh6NQcN6ck
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-2-cyano-3-[4-(1-methylethyl)phenyl]-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl 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 422.166413876 u
Formula C24H26N2O3S
InChI InChI=1S/C24H26N2O3S/c1-4-29-24(28)21-19-7-5-6-8-20(19)30-23(21)26-22(27)18(14-25)13-16-9-11-17(12-10-16)15(2)3/h9-13,15H,4-8H2,1-3H3,(H,26,27)/b18-13+
InChIKey ALYILYVMLJHSEJ-QGOAFFKASA-N
Molecular Weight 422.543 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12592
Solvent DMSO-d6
Source Vendor ID: ZI/10029690; Lab Info: PLU; Lab Number: FCI-483-4805