| SpectraBase Compound ID | FDThgRLe1gl |
|---|---|
| InChI | InChI=1S/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,7H,(H,10,12) |
| InChIKey | NEWVVIDKMOJCCS-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HcRlqraJKAT |
|---|---|
| Name | 1H-Indole-3-carboxaldehyde, 2,3-dihydro-2-oxo- |
| 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/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,7H,(H,10,12) |
| InChIKey | NEWVVIDKMOJCCS-UHFFFAOYSA-N |
| Molecular Weight | 161.160 g/mol |
| SMILES | C1(C(C=2C=CC=CC2N1)C=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904983 |