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

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4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-nitrobenzoic acid
SpectraBase Compound ID 22BmuG0vK0T
InChI InChI=1S/C12H11N3O4/c1-7-5-8(2)14(13-7)10-4-3-9(12(16)17)6-11(10)15(18)19/h3-6H,1-2H3,(H,16,17)
InChIKey BDVSUKLFJJBBRP-UHFFFAOYSA-N
Mol Weight 261.24 g/mol
Molecular Formula C12H11N3O4
Exact Mass 261.074956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7xVpv7o55xQ
Name 4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-nitrobenzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.074955842 u
Formula C12H11N3O4
InChI InChI=1S/C12H11N3O4/c1-7-5-8(2)14(13-7)10-4-3-9(12(16)17)6-11(10)15(18)19/h3-6H,1-2H3,(H,16,17)
InChIKey BDVSUKLFJJBBRP-UHFFFAOYSA-N
Molecular Weight 261.237 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9098
Solvent DMSO-d6
Source Vendor ID: NMR/13228297