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1H-pyrazole-3,4-dicarbonitrile, 5-amino-1-(4-methylbenzoyl)-
SpectraBase Compound ID EPwWDtReaTn
InChI InChI=1S/C13H9N5O/c1-8-2-4-9(5-3-8)13(19)18-12(16)10(6-14)11(7-15)17-18/h2-5H,16H2,1H3
InChIKey RDUGCHKUXDMIOK-UHFFFAOYSA-N
Mol Weight 251.25 g/mol
Molecular Formula C13H9N5O
Exact Mass 251.08071 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKyIlZeRrRs
Name 1H-pyrazole-3,4-dicarbonitrile, 5-amino-1-(4-methylbenzoyl)-
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/C13H9N5O/c1-8-2-4-9(5-3-8)13(19)18-12(16)10(6-14)11(7-15)17-18/h2-5H,16H2,1H3
InChIKey RDUGCHKUXDMIOK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7908
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: NMR/12256535; Labnumber: CHEB-RT00552