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[1,2,4]triazolo[4,3-b]pyridazine-3-propanoic acid, 6-chloro-
SpectraBase Compound ID AORR7c2stCJ
InChI InChI=1S/C8H7ClN4O2/c9-5-1-2-6-10-11-7(13(6)12-5)3-4-8(14)15/h1-2H,3-4H2,(H,14,15)
InChIKey DNEWIPRSCXMUJE-UHFFFAOYSA-N
Mol Weight 226.62 g/mol
Molecular Formula C8H7ClN4O2
Exact Mass 226.025753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62Ygx7JFmUO
Name [1,2,4]triazolo[4,3-b]pyridazine-3-propanoic acid, 6-chloro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.025753179 u
Formula C8H7ClN4O2
InChI InChI=1S/C8H7ClN4O2/c9-5-1-2-6-10-11-7(13(6)12-5)3-4-8(14)15/h1-2H,3-4H2,(H,14,15)
InChIKey DNEWIPRSCXMUJE-UHFFFAOYSA-N
Molecular Weight 226.623 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2958
Solvent DMSO-d6
Source Vendor ID: NMR/12689658