| SpectraBase Compound ID | KgC9fq5I4gA |
|---|---|
| InChI | InChI=1S/C11H11NO/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13) |
| InChIKey | VQWWQAXEUWHNDU-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KwlqPRP1bWa |
|---|---|
| Name | Milnacipran artifact (lactam) P328 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13) |
| InChIKey | VQWWQAXEUWHNDU-UHFFFAOYSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C12(CC1CNC2=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93964 |