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3-{[1-(3-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}propanenitrile
SpectraBase Compound ID JneMXuvNE41
InChI InChI=1S/C12H13ClN4/c13-10-3-1-4-11(9-10)17-8-5-12(16-17)15-7-2-6-14/h1,3-4,9H,2,5,7-8H2,(H,15,16)
InChIKey NWPSQYKPKLTMOI-UHFFFAOYSA-N
Mol Weight 248.72 g/mol
Molecular Formula C12H13ClN4
Exact Mass 248.082874 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AcDxwwqo3j6
Name 3-{[1-(3-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]amino}propanenitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.082874135 u
Formula C12H13ClN4
InChI InChI=1S/C12H13ClN4/c13-10-3-1-4-11(9-10)17-8-5-12(16-17)15-7-2-6-14/h1,3-4,9H,2,5,7-8H2,(H,15,16)
InChIKey NWPSQYKPKLTMOI-UHFFFAOYSA-N
Molecular Weight 248.717 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2748
Solvent DMSO-d6
Source Vendor ID: NMR/12279921