| SpectraBase Compound ID | Due9VsECmuB |
|---|---|
| InChI | InChI=1S/C8H7N3O3/c12-8(13)7-2-1-6(14-7)3-11-5-9-4-10-11/h1-2,4-5H,3H2,(H,12,13) |
| InChIKey | XVLSHLTXQLXVJF-UHFFFAOYSA-N |
| Mol Weight | 193.16 g/mol |
| Molecular Formula | C8H7N3O3 |
| Exact Mass | 193.048741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29vTsT5G5Gl |
|---|---|
| Name | Furane-2-carboxylic acid, 5-(1,2,4-triazol-1-ylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.048741094 u |
| Formula | C8H7N3O3 |
| InChI | InChI=1S/C8H7N3O3/c12-8(13)7-2-1-6(14-7)3-11-5-9-4-10-11/h1-2,4-5H,3H2,(H,12,13) |
| InChIKey | XVLSHLTXQLXVJF-UHFFFAOYSA-N |
| Molecular Weight | 193.162 g/mol |
| SMILES | C=1(OC(CN2C=NC=N2)=CC1)C(=O)O |