| SpectraBase Compound ID | GJ8rpZNRPxn |
|---|---|
| InChI | InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11) |
| InChIKey | AFJWMGOTLUUGHF-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | evFT5un2Sc |
|---|---|
| Name | 4,5,6,7-Tetrahydroisoindole-1,3-quinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11) |
| InChIKey | AFJWMGOTLUUGHF-UHFFFAOYSA-N |
| Molecular Weight | 151.165 g/mol |
| SMILES | C1(=O)C2=C(C(N1)=O)CCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883238 |