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1H-pyrazole-4-carbonitrile, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-
SpectraBase Compound ID 2jbipN7Of5Q
InChI InChI=1S/C12H10N4O2/c13-4-9-6-15-16-12(9)14-5-8-1-2-10-11(3-8)18-7-17-10/h1-3,6H,5,7H2,(H2,14,15,16)
InChIKey QWZFMWVHODUYLO-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1LvKPG3l0UM
Name 1H-pyrazole-4-carbonitrile, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.080375576 u
Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c13-4-9-6-15-16-12(9)14-5-8-1-2-10-11(3-8)18-7-17-10/h1-3,6H,5,7H2,(H2,14,15,16)
InChIKey QWZFMWVHODUYLO-UHFFFAOYSA-N
Molecular Weight 242.238 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8506
Solvent DMSO-d6
Source Vendor ID: NMR/14220090; Lab Info: L17,Jamskov; Lab Number: 529