| SpectraBase Compound ID | ANAQRimB33p |
|---|---|
| InChI | InChI=1S/C12H11NO/c1-3-10-8-9-6-4-5-7-11(9)12(14)13(10)2/h3-8H,1H2,2H3 |
| InChIKey | QKZSJLFXPCQOOV-UHFFFAOYSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JlF6n1Olnaf |
|---|---|
| Name | N-Methyl-3-vinylisoquinolin-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c1-3-10-8-9-6-4-5-7-11(9)12(14)13(10)2/h3-8H,1H2,2H3 |
| InChIKey | QKZSJLFXPCQOOV-UHFFFAOYSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C1(N(C(C=C)=CC2=C1C=CC=C2)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920128 |