| SpectraBase Compound ID | B6Ahpef9nmw |
|---|---|
| InChI | InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16) |
| InChIKey | RTFADALJKSFJDZ-UHFFFAOYSA-N |
| Mol Weight | 225.34 g/mol |
| Molecular Formula | C12H23N3O |
| Exact Mass | 225.184112 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2WUVgX7gO1Z |
|---|---|
| Name | Esaprazole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.184112372 u |
| Formula | C12H23N3O |
| InChI | InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16) |
| InChIKey | RTFADALJKSFJDZ-UHFFFAOYSA-N |
| Molecular Weight | 225.336 g/mol |
| SMILES | C(=O)(NC1CCCCC1)CN1CCNCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964087 |