| SpectraBase Compound ID | LZOk24BFXqf |
|---|---|
| InChI | InChI=1S/C15H19ClO/c1-2-3-4-5-9-14(17)12-11-13-8-6-7-10-15(13)16/h6-8,10-12H,2-5,9H2,1H3/b12-11+ |
| InChIKey | HBVVTEYMQYVCTF-VAWYXSNFSA-N |
| Mol Weight | 250.77 g/mol |
| Molecular Formula | C15H19ClO |
| Exact Mass | 250.112443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wOdchlspV |
|---|---|
| Name | 1-Nonen-3-one, 1-(2-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.112442931 u |
| Formula | C15H19ClO |
| InChI | InChI=1S/C15H19ClO/c1-2-3-4-5-9-14(17)12-11-13-8-6-7-10-15(13)16/h6-8,10-12H,2-5,9H2,1H3/b12-11+ |
| InChIKey | HBVVTEYMQYVCTF-VAWYXSNFSA-N |
| Molecular Weight | 250.769 g/mol |
| SMILES | C1(\C=C\C(CCCCCC)=O)=C(Cl)C=CC=C1 |