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5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 3AOiQeGraBB
InChI InChI=1S/C14H9N5O2/c15-5-9(13-10(6-16)14(17)19-18-13)3-8-1-2-11-12(4-8)21-7-20-11/h1-4H,7H2,(H3,17,18,19)/b9-3+
InChIKey ZEYLBMZRBYXANQ-YCRREMRBSA-N
Mol Weight 279.26 g/mol
Molecular Formula C14H9N5O2
Exact Mass 279.075625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HkwQcFmuQfy
Name 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
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/C14H9N5O2/c15-5-9(13-10(6-16)14(17)19-18-13)3-8-1-2-11-12(4-8)21-7-20-11/h1-4H,7H2,(H3,17,18,19)/b9-3+
InChIKey ZEYLBMZRBYXANQ-YCRREMRBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3211
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/8078712; UBI_ID: UBI-003212
Synonyms 5-amino-3-[2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
Temperature 308 °C