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4,4,4-trichloro-1-(4-nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)-1-butanone

View entire compound with spectra: 1 NMR

4,4,4-trichloro-1-(4-nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)-1-butanone
SpectraBase Compound ID JbaRqEDP3es
InChI InChI=1S/C12H9Cl3N4O3/c13-12(14,15)11(18-7-16-6-17-18)5-10(20)8-1-3-9(4-2-8)19(21)22/h1-4,6-7,11H,5H2
InChIKey HLTWPMQNWUKOKL-UHFFFAOYSA-N
Mol Weight 363.59 g/mol
Molecular Formula C12H9Cl3N4O3
Exact Mass 361.974023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GUA8iade1BJ
Name 4,4,4-trichloro-1-(4-nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)-1-butanone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H9Cl3N4O3/c13-12(14,15)11(18-7-16-6-17-18)5-10(20)8-1-3-9(4-2-8)19(21)22/h1-4,6-7,11H,5H2
InChIKey HLTWPMQNWUKOKL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36211
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: H04459; SBI_ID: SBI-036215
Temperature 298 °C