| SpectraBase Compound ID | 2jnCNtAoLCP |
|---|---|
| InChI | InChI=1S/C11H14ClNO/c1-8(2)7-13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | ILCKINPCGGJLCK-UHFFFAOYSA-N |
| Mol Weight | 211.69 g/mol |
| Molecular Formula | C11H14ClNO |
| Exact Mass | 211.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G5F69TYNkWB |
|---|---|
| Name | 4-Chlorobenzamide, N-isobutyl- |
| 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/c1-8(2)7-13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | ILCKINPCGGJLCK-UHFFFAOYSA-N |
| Molecular Weight | 211.692 g/mol |
| SMILES | C1(=CC=C(C=C1)C(NCC(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834808 |