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1-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID K3it1GX2xnd
InChI InChI=1S/C16H16F3N5O3/c1-21-5-4-12(20-21)15(25)23-8-6-22(7-9-23)13-3-2-11(16(17,18)19)10-14(13)24(26)27/h2-5,10H,6-9H2,1H3
InChIKey HIDPKQLBWAJVNP-UHFFFAOYSA-N
Mol Weight 383.33 g/mol
Molecular Formula C16H16F3N5O3
Exact Mass 383.120524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 95QaqErnzL8
Name 1-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
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/C16H16F3N5O3/c1-21-5-4-12(20-21)15(25)23-8-6-22(7-9-23)13-3-2-11(16(17,18)19)10-14(13)24(26)27/h2-5,10H,6-9H2,1H3
InChIKey HIDPKQLBWAJVNP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16828
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: UZI/8185342; UBI_ID: UBI-016831
Temperature 308 °C