| SpectraBase Compound ID | L3jpvhFncCb |
|---|---|
| InChI | InChI=1S/C15H10N2O4/c16-10-14(11-6-8-13(9-7-11)17(19)20)21-15(18)12-4-2-1-3-5-12/h1-9,14H |
| InChIKey | UIMXNWCCUWBYCY-UHFFFAOYSA-N |
| Mol Weight | 282.25 g/mol |
| Molecular Formula | C15H10N2O4 |
| Exact Mass | 282.064057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EPaQr3UsJdl |
|---|---|
| Name | Cyano(4-nitrophenyl)methyl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.064056806 u |
| Formula | C15H10N2O4 |
| InChI | InChI=1S/C15H10N2O4/c16-10-14(11-6-8-13(9-7-11)17(19)20)21-15(18)12-4-2-1-3-5-12/h1-9,14H |
| InChIKey | UIMXNWCCUWBYCY-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(=O)OC(C1=CC=C(C=C1)N(=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919477 |