| SpectraBase Compound ID | BuEQ1SAg07n |
|---|---|
| InChI | InChI=1S/C13H9NO3/c15-9-10-4-6-11(7-5-10)13(16)17-12-3-1-2-8-14-12/h1-9H |
| InChIKey | CQRPUEDNUCQUTK-UHFFFAOYSA-N |
| Mol Weight | 227.22 g/mol |
| Molecular Formula | C13H9NO3 |
| Exact Mass | 227.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FMTpDL0Bnvs |
|---|---|
| Name | 2'-Pyridinyl 2-formylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.058243151 u |
| Formula | C13H9NO3 |
| InChI | InChI=1S/C13H9NO3/c15-9-10-4-6-11(7-5-10)13(16)17-12-3-1-2-8-14-12/h1-9H |
| InChIKey | CQRPUEDNUCQUTK-UHFFFAOYSA-N |
| Molecular Weight | 227.219 g/mol |
| SMILES | C(OC1=NC=CC=C1)(C=1C=CC(C=O)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945811 |