| SpectraBase Compound ID | 96N6u8BjDAl |
|---|---|
| InChI | InChI=1S/C11H11NO2/c13-8-12-7-10(6-11(12)14)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2 |
| InChIKey | FJQKNJBWFMENNJ-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2UIr3OVFvDy |
|---|---|
| Name | Phenibut-A (-H2O) form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c13-8-12-7-10(6-11(12)14)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2 |
| InChIKey | FJQKNJBWFMENNJ-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C1(C2=CC=CC=C2)CN(C(C1)=O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914836 |