| SpectraBase Compound ID | 98RccCYV3Dt |
|---|---|
| InChI | InChI=1S/C11H14FNO/c1-2-4-11(14)13-8-9-5-3-6-10(12)7-9/h3,5-7H,2,4,8H2,1H3,(H,13,14) |
| InChIKey | AQFIHTJRCIINQN-UHFFFAOYSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C11H14FNO |
| Exact Mass | 195.105942 g/mol |
| SpectraBase Spectrum ID | D4jInfrKb8T |
|---|---|
| Name | N-(3-Fluorobenzyl)butanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.105942237 u |
| Formula | C11H14FNO |
| InChI | InChI=1S/C11H14FNO/c1-2-4-11(14)13-8-9-5-3-6-10(12)7-9/h3,5-7H,2,4,8H2,1H3,(H,13,14) |
| InChIKey | AQFIHTJRCIINQN-UHFFFAOYSA-N |
| Molecular Weight | 195.237 g/mol |
| SMILES | C(NC(CCC)=O)C=1C=C(C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880922 |