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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-2-cyano-3-(2-furanyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, butyl ester
SpectraBase Compound ID BHKfUZNolqG
InChI InChI=1S/C21H22N2O4S/c1-2-3-10-27-21(25)18-16-8-4-5-9-17(16)28-20(18)23-19(24)14(13-22)12-15-7-6-11-26-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24)/b14-12+
InChIKey WCNXPGSJPDDQTQ-WYMLVPIESA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BJUy1Cv4zIh
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-2-cyano-3-(2-furanyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, butyl 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 398.130028366 u
Formula C21H22N2O4S
InChI InChI=1S/C21H22N2O4S/c1-2-3-10-27-21(25)18-16-8-4-5-9-17(16)28-20(18)23-19(24)14(13-22)12-15-7-6-11-26-15/h6-7,11-12H,2-5,8-10H2,1H3,(H,23,24)/b14-12+
InChIKey WCNXPGSJPDDQTQ-WYMLVPIESA-N
Molecular Weight 398.477 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12583
Solvent DMSO-d6
Source Vendor ID: ZI/10028543; Lab Info: PLU; Lab Number: FCI-483-4833