| SpectraBase Compound ID | JyTbwqMnxzT |
|---|---|
| InChI | InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3 |
| InChIKey | DYPLDWLIOGXSSE-UHFFFAOYSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C7H11NO2 |
| Exact Mass | 141.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DeyPHg9CiZ |
|---|---|
| Name | Guvacoline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.078978596 u |
| Formula | C7H11NO2 |
| InChI | InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3 |
| InChIKey | DYPLDWLIOGXSSE-UHFFFAOYSA-N |
| SMILES | C1C(=CCCN1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989308 |