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1-(4-methylbenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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1-(4-methylbenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID D0LfQKw17j3
InChI InChI=1S/C12H11N3O4/c1-8-2-4-9(5-3-8)7-14-10(12(16)17)6-11(13-14)15(18)19/h2-6H,7H2,1H3,(H,16,17)
InChIKey BEWYIEFDAZKWCF-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 I1fxVmY7I4c
Name 1-(4-methylbenzyl)-3-nitro-1H-pyrazole-5-carboxylic 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/C12H11N3O4/c1-8-2-4-9(5-3-8)7-14-10(12(16)17)6-11(13-14)15(18)19/h2-6H,7H2,1H3,(H,16,17)
InChIKey BEWYIEFDAZKWCF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1674
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/9099302; Labnumber: AK-968/0000023; UZI_ID: UZI-001676
Temperature 308 °C