| SpectraBase Compound ID | 9InPfoxfiAa |
|---|---|
| InChI | InChI=1S/C10H9NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-6H,1H3,(H,11,12) |
| InChIKey | MEBYZSAQFUZJEQ-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4lp3nPVaoQ1 |
|---|---|
| Name | 3-Methylquinolin-4(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.068413913 u |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c1-7-6-11-9-5-3-2-4-8(9)10(7)12/h2-6H,1H3,(H,11,12) |
| InChIKey | MEBYZSAQFUZJEQ-UHFFFAOYSA-N |
| Molecular Weight | 159.188 g/mol |
| SMILES | C1(C2=C(C=CC=C2)NC=C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970671 |