| SpectraBase Compound ID | 7QTbtxfZWAd |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h3-6H,2,7-8H2,1H3 |
| InChIKey | VELWDNLYIQYANO-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HkpC2BGHJF1 |
|---|---|
| Name | 2-Propyl-4H-isoquinoline-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h3-6H,2,7-8H2,1H3 |
| InChIKey | VELWDNLYIQYANO-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C1(N(C(CC=2C=CC=CC12)=O)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935525 |