| SpectraBase Compound ID | Ajq9SDxvAEl |
|---|---|
| InChI | InChI=1S/C10H8FNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h1-6H,7H2 |
| InChIKey | ZTFPCERUCZVHKL-UHFFFAOYSA-N |
| Mol Weight | 177.18 g/mol |
| Molecular Formula | C10H8FNO |
| Exact Mass | 177.058992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AWGw46GcTZ6 |
|---|---|
| Name | N-(4-Fluorophenyl)-alpha,beta-dehydro-butyrolactam |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.058992044 u |
| Formula | C10H8FNO |
| InChI | InChI=1S/C10H8FNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h1-6H,7H2 |
| InChIKey | ZTFPCERUCZVHKL-UHFFFAOYSA-N |
| Molecular Weight | 177.178 g/mol |
| SMILES | C1(=O)C=CCN1C1=CC=C(F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948114 |