| SpectraBase Compound ID | ALFlMpKtOeT |
|---|---|
| InChI | InChI=1S/C13H15NO6/c1-2-19-12(15)4-3-5-13(16)20-11-8-6-10(7-9-11)14(17)18/h6-9H,2-5H2,1H3 |
| InChIKey | ZBQMGEAUHNVSIM-UHFFFAOYSA-N |
| Mol Weight | 281.26 g/mol |
| Molecular Formula | C13H15NO6 |
| Exact Mass | 281.089937 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KzeveqnAXF9 |
|---|---|
| Name | Glutaric acid, ethyl 4-nitrophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.089937201 u |
| Formula | C13H15NO6 |
| InChI | InChI=1S/C13H15NO6/c1-2-19-12(15)4-3-5-13(16)20-11-8-6-10(7-9-11)14(17)18/h6-9H,2-5H2,1H3 |
| InChIKey | ZBQMGEAUHNVSIM-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(OC(=O)CCCC(OCC)=O)C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945962 |