| SpectraBase Compound ID | 6bN6Bt5bb |
|---|---|
| InChI | InChI=1S/C15H11NO2/c16-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(17)15(13)18/h1-8H,9H2,(H,17,18) |
| InChIKey | WQDUXUJAXAOQBE-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C15H11NO2 |
| Exact Mass | 237.078979 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4XujoXOhLMK |
|---|---|
| Name | 3-(4-Cyanobenzyl)tropolone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H11NO2 |
| InChI | InChI=1S/C15H11NO2/c16-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(17)15(13)18/h1-8H,9H2,(H,17,18) |
| InChIKey | WQDUXUJAXAOQBE-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 237.258 g/mol |
| SMILES | OC1=C(Cc2ccc(C#N)cc2)C=CC=CC1=O |
| SPLASH | splash10-000i-2390000000-81f8177699dde7f65e33 |
| Source of Spectrum | SRH-2022-10992-0 |
| Wiley ID | 1832601 |