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1-piperazinecarboxylic acid, 4-[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-[(2-thienylcarbonyl)amino]-2-propenyl]-, ethyl ester

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1-piperazinecarboxylic acid, 4-[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-[(2-thienylcarbonyl)amino]-2-propenyl]-, ethyl ester
SpectraBase Compound ID KaiV8CJx8Qv
InChI InChI=1S/C22H23N3O6S/c1-2-29-22(28)25-9-7-24(8-10-25)21(27)16(23-20(26)19-4-3-11-32-19)12-15-5-6-17-18(13-15)31-14-30-17/h3-6,11-13H,2,7-10,14H2,1H3,(H,23,26)/b16-12+
InChIKey OVUJFGKZCATGMK-FOWTUZBSSA-N
Mol Weight 457.5 g/mol
Molecular Formula C22H23N3O6S
Exact Mass 457.130757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HF2L7Vh8CF1
Name 1-piperazinecarboxylic acid, 4-[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-[(2-thienylcarbonyl)amino]-2-propenyl]-, 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 457.130756641 u
Formula C22H23N3O6S
InChI InChI=1S/C22H23N3O6S/c1-2-29-22(28)25-9-7-24(8-10-25)21(27)16(23-20(26)19-4-3-11-32-19)12-15-5-6-17-18(13-15)31-14-30-17/h3-6,11-13H,2,7-10,14H2,1H3,(H,23,26)/b16-12+
InChIKey OVUJFGKZCATGMK-FOWTUZBSSA-N
Molecular Weight 457.501 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2357
Solvent DMSO-d6
Source Vendor ID: NMR/9216345; Lab Info: HOL; Lab Number: HOL-0000125