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1-(3,4-dichlorobenzyl)-4-({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)piperazine
SpectraBase Compound ID 6Hekwqpw0x
InChI InChI=1S/C22H24Cl2N6O4/c1-13-21(30(32)33)14(2)29(25-13)12-17-15(3)34-26-20(17)22(31)28-8-6-27(7-9-28)11-16-4-5-18(23)19(24)10-16/h4-5,10H,6-9,11-12H2,1-3H3
InChIKey NTCMWJITTUXWTG-UHFFFAOYSA-N
Mol Weight 507.38 g/mol
Molecular Formula C22H24Cl2N6O4
Exact Mass 506.123609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID VfEolaT2tK
Name 1-(3,4-dichlorobenzyl)-4-({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)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/C22H24Cl2N6O4/c1-13-21(30(32)33)14(2)29(25-13)12-17-15(3)34-26-20(17)22(31)28-8-6-27(7-9-28)11-16-4-5-18(23)19(24)10-16/h4-5,10H,6-9,11-12H2,1-3H3
InChIKey NTCMWJITTUXWTG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32801
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: 1911569; SBI_ID: SBI-032805
Temperature 318 °C