| SpectraBase Compound ID | 9DuV516mG3J |
|---|---|
| InChI | 1S/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2 |
| InChIKey | GDZIODIYBLTRRJ-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ApLRGgU9ER1 |
|---|---|
| Name | Cyanoformic acid, benzyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.047678467 u |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2 |
| InChIKey | GDZIODIYBLTRRJ-UHFFFAOYSA-N |
| Molecular Weight | 161.160 g/mol |
| SMILES | C(=O)(OCC=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.984729 |