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1-piperazinecarboxylic acid, 4-[[3-(4-chlorophenyl)-4,5-dihydro-4-(phenylmethyl)-5-thioxo-1H-1,2,4-triazol-1-yl]methyl]-, ethyl ester

View entire compound with spectra: 1 NMR

1-piperazinecarboxylic acid, 4-[[3-(4-chlorophenyl)-4,5-dihydro-4-(phenylmethyl)-5-thioxo-1H-1,2,4-triazol-1-yl]methyl]-, ethyl ester
SpectraBase Compound ID DPom6b7lrIR
InChI InChI=1S/C23H26ClN5O2S/c1-2-31-23(30)27-14-12-26(13-15-27)17-29-22(32)28(16-18-6-4-3-5-7-18)21(25-29)19-8-10-20(24)11-9-19/h3-11H,2,12-17H2,1H3
InChIKey IJKNENKWBWWALG-UHFFFAOYSA-N
Mol Weight 472.01 g/mol
Molecular Formula C23H26ClN5O2S
Exact Mass 471.149574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6hhivLgcVvc
Name 1-piperazinecarboxylic acid, 4-[[3-(4-chlorophenyl)-4,5-dihydro-4-(phenylmethyl)-5-thioxo-1H-1,2,4-triazol-1-yl]methyl]-, 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 471.149573969 u
Formula C23H26ClN5O2S
InChI InChI=1S/C23H26ClN5O2S/c1-2-31-23(30)27-14-12-26(13-15-27)17-29-22(32)28(16-18-6-4-3-5-7-18)21(25-29)19-8-10-20(24)11-9-19/h3-11H,2,12-17H2,1H3
InChIKey IJKNENKWBWWALG-UHFFFAOYSA-N
Molecular Weight 472.007 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_857
Solvent DMSO-d6
Source Vendor ID: NMR/8295434; Lab Info: LP; Lab Number: LP-2180895
Temperature 29.85 °C