| SpectraBase Compound ID | HWJHb3eRedW |
|---|---|
| InChI | InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14) |
| InChIKey | IZISMXMXCLUHGI-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 | 2cVf15apJfU |
|---|---|
| Name | Pivalamide, N-(4-chlorophenyl)- |
| 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/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14) |
| InChIKey | IZISMXMXCLUHGI-UHFFFAOYSA-N |
| Molecular Weight | 211.692 g/mol |
| SMILES | C(C(=O)NC1=CC=C(C=C1)Cl)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903456 |