| SpectraBase Compound ID | KUnOWMITUzB |
|---|---|
| InChI | InChI=1S/C14H7NO3/c16-13-8-4-3-7-11-12(8)15(14(13)17)9-5-1-2-6-10(9)18-11/h1-7H |
| InChIKey | SUEQPJYASOMUIC-UHFFFAOYSA-N |
| Mol Weight | 237.21 g/mol |
| Molecular Formula | C14H7NO3 |
| Exact Mass | 237.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4f0ss6GY4hv |
|---|---|
| Name | Isatin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.042593086 u |
| Formula | C14H7NO3 |
| InChI | InChI=1S/C14H7NO3/c16-13-8-4-3-7-11-12(8)15(14(13)17)9-5-1-2-6-10(9)18-11/h1-7H |
| InChIKey | SUEQPJYASOMUIC-UHFFFAOYSA-N |
| Molecular Weight | 237.214 g/mol |
| SMILES | C1(N2C=3C(C1=O)=CC=CC3OC=1C2=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948014 |