| SpectraBase Compound ID | Do0AJ4wuYVy |
|---|---|
| InChI | InChI=1S/C13H15NO/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13(14)15/h4-8,10H,2-3,9H2,1H3 |
| InChIKey | WFKSHYOMEQEYIY-UHFFFAOYSA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C13H15NO |
| Exact Mass | 201.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8qV2AZUrs7L |
|---|---|
| Name | 2-Butylisoquinolin-1(2H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.115364106 u |
| Formula | C13H15NO |
| InChI | InChI=1S/C13H15NO/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13(14)15/h4-8,10H,2-3,9H2,1H3 |
| InChIKey | WFKSHYOMEQEYIY-UHFFFAOYSA-N |
| Molecular Weight | 201.269 g/mol |
| SMILES | C1(N(C=CC=2C=CC=CC12)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946677 |