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{4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile
SpectraBase Compound ID 2o7c1W088MZ
InChI InChI=1S/C33H32BrN5O4/c1-6-42-27-20-23(19-26(34)31(27)43-18-17-35)30(28-21(2)36(4)38(32(28)40)24-13-9-7-10-14-24)29-22(3)37(5)39(33(29)41)25-15-11-8-12-16-25/h7-16,19-20,30H,6,18H2,1-5H3
InChIKey FIGLBRNTFWXWDW-UHFFFAOYSA-N
Mol Weight 642.6 g/mol
Molecular Formula C33H32BrN5O4
Exact Mass 641.163768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HKuwJ8B1CJS
Name {4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile
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/C33H32BrN5O4/c1-6-42-27-20-23(19-26(34)31(27)43-18-17-35)30(28-21(2)36(4)38(32(28)40)24-13-9-7-10-14-24)29-22(3)37(5)39(33(29)41)25-15-11-8-12-16-25/h7-16,19-20,30H,6,18H2,1-5H3
InChIKey FIGLBRNTFWXWDW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4864
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/9379909; Labnumber: BMA-04\022695; UZI_ID: UZI-004866
Temperature 308 °C