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3-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4-methylbenzoic acid
SpectraBase Compound ID Ca3KfgjE87h
InChI InChI=1S/C14H14N4O5/c1-7-4-5-9(14(20)21)6-10(7)15-13(19)12-11(18(22)23)8(2)16-17(12)3/h4-6H,1-3H3,(H,15,19)(H,20,21)
InChIKey JBVAWCLRFJKULO-UHFFFAOYSA-N
Mol Weight 318.29 g/mol
Molecular Formula C14H14N4O5
Exact Mass 318.09642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVRbQUmy7WB
Name 3-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4-methylbenzoic 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/C14H14N4O5/c1-7-4-5-9(14(20)21)6-10(7)15-13(19)12-11(18(22)23)8(2)16-17(12)3/h4-6H,1-3H3,(H,15,19)(H,20,21)
InChIKey JBVAWCLRFJKULO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7235
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: 9184965; UBI_ID: UBI-007238
Temperature 308 °C