| SpectraBase Compound ID | L1I2p645C9c |
|---|---|
| InChI | InChI=1S/C11H14ClNO/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14) |
| InChIKey | NKQOQWJDLCYELT-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 | 9yE4W9Cwpza |
|---|---|
| Name | Benzamide, 3-chloro-N-butyl- |
| 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/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3,(H,13,14) |
| InChIKey | NKQOQWJDLCYELT-UHFFFAOYSA-N |
| Molecular Weight | 211.692 g/mol |
| SMILES | C1=CC=C(C=C1Cl)C(NCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862964 |