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3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid

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3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
SpectraBase Compound ID E40L18BGsBX
InChI InChI=1S/C8H11BrN2O2/c1-5-8(9)6(2)11(10-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13)
InChIKey QTOFWFGESPQEHM-UHFFFAOYSA-N
Mol Weight 247.09 g/mol
Molecular Formula C8H11BrN2O2
Exact Mass 246.000391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1dhC4DfTc6
Name 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
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/C8H11BrN2O2/c1-5-8(9)6(2)11(10-5)4-3-7(12)13/h3-4H2,1-2H3,(H,12,13)
InChIKey QTOFWFGESPQEHM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1580
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/1011729; Labnumber: ACI0426; UZI_ID: UZI-001582
Temperature 308 °C