| SpectraBase Compound ID | JSh9LI0jJnZ |
|---|---|
| InChI | InChI=1S/C16H11NO3/c1-17-14(20)9-11(10-5-3-2-4-6-10)15-12(18)7-8-13(19)16(15)17/h2-9H,1H3 |
| InChIKey | TUZMLFWQMHNJPF-UHFFFAOYSA-N |
| Mol Weight | 265.27 g/mol |
| Molecular Formula | C16H11NO3 |
| Exact Mass | 265.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DqPNEdIJ6Oa |
|---|---|
| Name | 4-Phenyl-1-methyl-2,5,8(1H)-quinoneone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.073893215 u |
| Formula | C16H11NO3 |
| InChI | InChI=1S/C16H11NO3/c1-17-14(20)9-11(10-5-3-2-4-6-10)15-12(18)7-8-13(19)16(15)17/h2-9H,1H3 |
| InChIKey | TUZMLFWQMHNJPF-UHFFFAOYSA-N |
| SMILES | C12=C(N(C)C(C=C2C2=CC=CC=C2)=O)C(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967522 |