| SpectraBase Compound ID | Gvyj71y4eFr |
|---|---|
| InChI | InChI=1S/C13H15NO2/c15-12-7-9-14(13(16)10-12)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | NHNODOKVRYUPOT-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ZsRgm1Ld7g |
|---|---|
| Name | 1-Phenethylpiperidine-2,4-quinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c15-12-7-9-14(13(16)10-12)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | NHNODOKVRYUPOT-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C1(N(CCC(C1)=O)CCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979209 |