| SpectraBase Compound ID | 5rvx3vd5pCG |
|---|---|
| InChI | InChI=1S/C11H14ClNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14) |
| InChIKey | AOLOVPRVWXNVRZ-UHFFFAOYSA-N |
| Mol Weight | 211.69 g/mol |
| Molecular Formula | C11H14ClNO |
| Exact Mass | 211.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BoBRCJJxV8e |
|---|---|
| Name | N-(4-Chlorobenzyl)butanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.076391774 u |
| Formula | C11H14ClNO |
| InChI | InChI=1S/C11H14ClNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14) |
| InChIKey | AOLOVPRVWXNVRZ-UHFFFAOYSA-N |
| Molecular Weight | 211.692 g/mol |
| SMILES | C=1(CNC(CCC)=O)C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90809 |