| SpectraBase Compound ID | 7nPzCArazhy |
|---|---|
| InChI | InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,11H,4-5H2,(H,10,12) |
| InChIKey | CMNQIVHHHBBVSC-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fr7WhwA9VLW |
|---|---|
| Name | 3,4-Dihydro-5-hydroxy-1(2H)-isoquinolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,11H,4-5H2,(H,10,12) |
| InChIKey | CMNQIVHHHBBVSC-UHFFFAOYSA-N |
| Molecular Weight | 163.176 g/mol |
| SMILES | C1(C2=C(C(O)=CC=C2)CCN1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84078 |