| SpectraBase Compound ID | Hd68pcfVpg8 |
|---|---|
| InChI | InChI=1S/C8H7NO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4,9H2 |
| InChIKey | HRIKKYVARILYMF-UHFFFAOYSA-N |
| Mol Weight | 149.15 g/mol |
| Molecular Formula | C8H7NO2 |
| Exact Mass | 149.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IaGhZ2lN1Pf |
|---|---|
| Name | 5-Amino-2H-1-benzofuran-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.047678467 u |
| Formula | C8H7NO2 |
| InChI | InChI=1S/C8H7NO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4,9H2 |
| InChIKey | HRIKKYVARILYMF-UHFFFAOYSA-N |
| Molecular Weight | 149.149 g/mol |
| SMILES | C1=C(C=CC2=C1C(CO2)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945567 |