| SpectraBase Compound ID | dpOWB5f9sm |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3 |
| InChIKey | DBJSKLKTQJMDTJ-UHFFFAOYSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHemoLIo7iG |
|---|---|
| Name | Guvacine ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3 |
| InChIKey | DBJSKLKTQJMDTJ-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C1C(=CCCN1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891621 |