| SpectraBase Compound ID | Gu3ssUtRx48 |
|---|---|
| InChI | InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-8-13-20-17(19)16-11-9-15(14-18)10-12-16/h9-12H,2-8,13H2,1H3 |
| InChIKey | DRVHHMDHRUJORH-UHFFFAOYSA-N |
| Mol Weight | 273.38 g/mol |
| Molecular Formula | C17H23NO2 |
| Exact Mass | 273.172879 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H7b1FmDATxQ |
|---|---|
| Name | 4-Cyanobenzoic acid, nonyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.172878983 u |
| Formula | C17H23NO2 |
| InChI | InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-8-13-20-17(19)16-11-9-15(14-18)10-12-16/h9-12H,2-8,13H2,1H3 |
| InChIKey | DRVHHMDHRUJORH-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCCC)(=O)C=1C=CC(C#N)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816245 |