| SpectraBase Compound ID | 4Zob7z9eqF5 |
|---|---|
| InChI | InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24) |
| InChIKey | NNOPDLNHPOLRRE-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C22H23NO4 |
| Exact Mass | 365.162708 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2oHKcV2OFHb |
|---|---|
| Name | Nequinate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.162708221 u |
| Formula | C22H23NO4 |
| InChI | InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24) |
| InChIKey | NNOPDLNHPOLRRE-UHFFFAOYSA-N |
| Molecular Weight | 365.429 g/mol |
| SMILES | C1(=O)C2=C(C=C(C(=C2)CCCC)OCC2=CC=CC=C2)NC=C1C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868336 |