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2-propenoic acid, 3-(3,4-dimethoxyphenyl)-, 4-bromo-2-(1-piperidinylcarbonothioyl)phenyl ester, (2E)-
SpectraBase Compound ID 7qbGbZKUfWl
InChI InChI=1S/C23H24BrNO4S/c1-27-20-9-6-16(14-21(20)28-2)7-11-22(26)29-19-10-8-17(24)15-18(19)23(30)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+
InChIKey JLQRVBNETXNWQD-YRNVUSSQSA-N
Mol Weight 490.41 g/mol
Molecular Formula C23H24BrNO4S
Exact Mass 489.060942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID gOeOYLmAZn
Name 2-propenoic acid, 3-(3,4-dimethoxyphenyl)-, 4-bromo-2-(1-piperidinylcarbonothioyl)phenyl ester, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.060942427 u
Formula C23H24BrNO4S
InChI InChI=1S/C23H24BrNO4S/c1-27-20-9-6-16(14-21(20)28-2)7-11-22(26)29-19-10-8-17(24)15-18(19)23(30)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+
InChIKey JLQRVBNETXNWQD-YRNVUSSQSA-N
Molecular Weight 490.412 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_58
Solvent DMSO-d6
Source Vendor ID: ZI/7059775; Lab Info: LD; Lab Number: LD-5000523
Temperature 29.85 °C