| SpectraBase Compound ID | Fwu1ggVCD5m |
|---|---|
| InChI | InChI=1S/C13H15NO/c1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3/h4-9H,1-3H3 |
| InChIKey | IPGQTAJSHBBRMY-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 | BaFyMtZJmOP |
|---|---|
| Name | 2-Methyl-3-propan-2-yl-1-isoquinolinone |
| 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/c1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3/h4-9H,1-3H3 |
| InChIKey | IPGQTAJSHBBRMY-UHFFFAOYSA-N |
| Molecular Weight | 201.269 g/mol |
| SMILES | C1(N(C(=CC=2C=CC=CC12)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893714 |