| SpectraBase Compound ID | 921vhpvQwSN |
|---|---|
| InChI | InChI=1S/C10H12FNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | FXKXZWPXJMMPIU-UHFFFAOYSA-N |
| Mol Weight | 181.21 g/mol |
| Molecular Formula | C10H12FNO |
| Exact Mass | 181.090292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6RS1Nhx6WCN |
|---|---|
| Name | N-(3-Fluorobenzyl)propanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.090292172 u |
| Formula | C10H12FNO |
| InChI | InChI=1S/C10H12FNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | FXKXZWPXJMMPIU-UHFFFAOYSA-N |
| Molecular Weight | 181.210 g/mol |
| SMILES | C=1(CNC(CC)=O)C=C(C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878563 |