| SpectraBase Compound ID | 6BQRLtxz6vU |
|---|---|
| InChI | InChI=1S/C9H16ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h1,3-7H2,2H3,(H,11,12) |
| InChIKey | JHEJILHTHZWIMQ-UHFFFAOYSA-N |
| Mol Weight | 189.69 g/mol |
| Molecular Formula | C9H16ClNO |
| Exact Mass | 189.092042 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Dbu38SVWJa |
|---|---|
| Name | 5-Chlorovaleramide, N-methallyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.092041838 u |
| Formula | C9H16ClNO |
| InChI | InChI=1S/C9H16ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h1,3-7H2,2H3,(H,11,12) |
| InChIKey | JHEJILHTHZWIMQ-UHFFFAOYSA-N |
| Molecular Weight | 189.686 g/mol |
| SMILES | C(Cl)CCCC(=O)NCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934093 |