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(4-phenyl-4H-1,2,4-triazol-1-ium-1-yl)acetate
SpectraBase Compound ID Jd8bEkQsifW
InChI InChI=1S/C10H9N3O2/c14-10(15)6-13-8-12(7-11-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey GMPNVDASDOSOOT-UHFFFAOYSA-N
Mol Weight 203.2 g/mol
Molecular Formula C10H9N3O2
Exact Mass 203.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3HZ5ZUYZtRn
Name (4-Phenyl-4H-1,2,4-triazol-1-ium-1-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.069476540 u
Formula C10H9N3O2
InChI InChI=1S/C10H9N3O2/c14-10(15)6-13-8-12(7-11-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey GMPNVDASDOSOOT-UHFFFAOYSA-N
Molecular Weight 203.201 g/mol
SMILES C=1C=CC(N2C=[N+](N=C2)CC([O-])=O)=CC1