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piperazine, 1-[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]-4-(4-nitrophenyl)-
SpectraBase Compound ID 53ZkRY8lEj6
InChI InChI=1S/C26H23ClN6O3S/c27-20-8-6-19(7-9-20)25-28-29-26(32(25)22-4-2-1-3-5-22)37-18-24(34)31-16-14-30(15-17-31)21-10-12-23(13-11-21)33(35)36/h1-13H,14-18H2
InChIKey ZDJAXUAAMMQKCR-UHFFFAOYSA-N
Mol Weight 535.02 g/mol
Molecular Formula C26H23ClN6O3S
Exact Mass 534.124087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3eBKNoVCx6W
Name piperazine, 1-[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]-4-(4-nitrophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.124087496 u
Formula C26H23ClN6O3S
InChI InChI=1S/C26H23ClN6O3S/c27-20-8-6-19(7-9-20)25-28-29-26(32(25)22-4-2-1-3-5-22)37-18-24(34)31-16-14-30(15-17-31)21-10-12-23(13-11-21)33(35)36/h1-13H,14-18H2
InChIKey ZDJAXUAAMMQKCR-UHFFFAOYSA-N
Molecular Weight 535.022 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14177
Solvent DMSO-d6
Source Vendor ID: NMR/10300423; Lab Info: LP; Lab Number: LP-2190193