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1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(2-hydroxyethyl)-alpha-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-
SpectraBase Compound ID 1FHLX0JV1TF
InChI InChI=1S/C17H15N5O4/c1-24-13-5-10(6-14-16(13)26-9-25-14)4-11(7-18)15-12(8-19)17(20)22(21-15)2-3-23/h4-6,23H,2-3,9,20H2,1H3/b11-4+
InChIKey VLTPRRXZDGTBHM-NYYWCZLTSA-N
Mol Weight 353.34 g/mol
Molecular Formula C17H15N5O4
Exact Mass 353.112404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L6aMU3UDWMG
Name 1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(2-hydroxyethyl)-alpha-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-
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/C17H15N5O4/c1-24-13-5-10(6-14-16(13)26-9-25-14)4-11(7-18)15-12(8-19)17(20)22(21-15)2-3-23/h4-6,23H,2-3,9,20H2,1H3/b11-4+
InChIKey VLTPRRXZDGTBHM-NYYWCZLTSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7299
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: SADD/5680919; IOH_ID: IOH-014303