| SpectraBase Compound ID | 62FIN40vays |
|---|---|
| InChI | InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+ |
| InChIKey | USVZQKYCNGNRBV-AATRIKPKSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C10H7NO2 |
| Exact Mass | 173.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jd5O52V7XPh |
|---|---|
| Name | 4-Cyano-cinnamic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.047678467 u |
| Formula | C10H7NO2 |
| InChI | InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+ |
| InChIKey | USVZQKYCNGNRBV-AATRIKPKSA-N |
| Molecular Weight | 173.171 g/mol |
| SMILES | C(=O)(O)\C=C\C1=CC=C(C=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844782 |