SpectraBase Compound ID | Jd8bEkQsifW |
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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 |
SpectraBase Spectrum ID | 3HZ5ZUYZtRn |
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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 |