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4-piperidinecarboxylic acid, 1-[(5E)-5-[(4-bromophenyl)methylene]-4,5-dihydro-4-oxothiazolyl]-, ethyl ester
SpectraBase Compound ID CX6PHLQJgQ8
InChI InChI=1S/C18H19BrN2O3S/c1-2-24-17(23)13-7-9-21(10-8-13)18-20-16(22)15(25-18)11-12-3-5-14(19)6-4-12/h3-6,11,13H,2,7-10H2,1H3/b15-11+
InChIKey GRZYKPWXXSCZEH-RVDMUPIBSA-N
Mol Weight 423.33 g/mol
Molecular Formula C18H19BrN2O3S
Exact Mass 422.029977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7booVl0Sv9g
Name 4-piperidinecarboxylic acid, 1-[(5E)-5-[(4-bromophenyl)methylene]-4,5-dihydro-4-oxothiazolyl]-, 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 422.029976651 u
Formula C18H19BrN2O3S
InChI InChI=1S/C18H19BrN2O3S/c1-2-24-17(23)13-7-9-21(10-8-13)18-20-16(22)15(25-18)11-12-3-5-14(19)6-4-12/h3-6,11,13H,2,7-10H2,1H3/b15-11+
InChIKey GRZYKPWXXSCZEH-RVDMUPIBSA-N
Molecular Weight 423.325 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9097
Solvent DMSO-d6
Source Vendor ID: NMR/9253715; Lab Info: LP; Lab Number: LP-0801171