| SpectraBase Compound ID | AxDe8tukTSA |
|---|---|
| InChI | InChI=1S/C12H22ClNO/c1-3-5-11-14(10-4-2)12(15)8-6-7-9-13/h4H,2-3,5-11H2,1H3 |
| InChIKey | OECXNBJAFYXPRK-UHFFFAOYSA-N |
| Mol Weight | 231.77 g/mol |
| Molecular Formula | C12H22ClNO |
| Exact Mass | 231.138992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51XtXRZrctJ |
|---|---|
| Name | Valeramide, 5-chloro-N-allyl-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.138992031 u |
| Formula | C12H22ClNO |
| InChI | InChI=1S/C12H22ClNO/c1-3-5-11-14(10-4-2)12(15)8-6-7-9-13/h4H,2-3,5-11H2,1H3 |
| InChIKey | OECXNBJAFYXPRK-UHFFFAOYSA-N |
| Molecular Weight | 231.767 g/mol |
| SMILES | C(N(CCCC)CC=C)(=O)CCCCCl |