| SpectraBase Compound ID | IC3zsm9buDt |
|---|---|
| InChI | InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+ |
| InChIKey | LKDFTXDJKHGCAC-SNAWJCMRSA-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 | 6maLOXlAtYQ |
|---|---|
| Name | (E)-3-(2-Pyridyl)acrylic acid |
| 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/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+ |
| InChIKey | LKDFTXDJKHGCAC-SNAWJCMRSA-N |
| Molecular Weight | 149.149 g/mol |
| SMILES | C=1N=C(C=CC1)\C=C\C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854021 |