| SpectraBase Compound ID | 3F5WqcLrlTR |
|---|---|
| InChI | InChI=1S/C10H18ClNO/c1-3-9-12(4-2)10(13)7-5-6-8-11/h3H,1,4-9H2,2H3 |
| InChIKey | CZFLWSJJFGUBKD-UHFFFAOYSA-N |
| Mol Weight | 203.71 g/mol |
| Molecular Formula | C10H18ClNO |
| Exact Mass | 203.107692 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWob6zQsswh |
|---|---|
| Name | Valeramide, 5-chloro-N-allyl-N-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.107691903 u |
| Formula | C10H18ClNO |
| InChI | InChI=1S/C10H18ClNO/c1-3-9-12(4-2)10(13)7-5-6-8-11/h3H,1,4-9H2,2H3 |
| InChIKey | CZFLWSJJFGUBKD-UHFFFAOYSA-N |
| Molecular Weight | 203.713 g/mol |
| SMILES | C(N(CC)CC=C)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857597 |