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4-bromo-1-[(3,5-dimethylphenoxy)acetyl]-1H-pyrazole

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4-bromo-1-[(3,5-dimethylphenoxy)acetyl]-1H-pyrazole
SpectraBase Compound ID 5MldYHp6C8N
InChI InChI=1S/C13H13BrN2O2/c1-9-3-10(2)5-12(4-9)18-8-13(17)16-7-11(14)6-15-16/h3-7H,8H2,1-2H3
InChIKey VUBGJWYJQSGENB-UHFFFAOYSA-N
Mol Weight 309.16 g/mol
Molecular Formula C13H13BrN2O2
Exact Mass 308.016041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FyTHAmGGpYh
Name 4-bromo-1-[(3,5-dimethylphenoxy)acetyl]-1H-pyrazole
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/C13H13BrN2O2/c1-9-3-10(2)5-12(4-9)18-8-13(17)16-7-11(14)6-15-16/h3-7H,8H2,1-2H3
InChIKey VUBGJWYJQSGENB-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7769
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/9011170; UBI_ID: UBI-007772
Synonyms 2-(4-bromo-1H-pyrazol-1-yl)-2-oxoethyl 3,5-dimethylphenyl ether
Temperature 313 °C