| SpectraBase Compound ID | B2pcZmGmhiS |
|---|---|
| InChI | InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h14H,2-13H2,1H3/b15-14+ |
| InChIKey | RLAOJKCSTGZACZ-CCEZHUSRSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrzsWFlJYwa |
|---|---|
| Name | (E)-3-Methylcyclopentadec-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h14H,2-13H2,1H3/b15-14+ |
| InChIKey | RLAOJKCSTGZACZ-CCEZHUSRSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | C1CCCCCCCCC(\C=C\(CCC1)C)=O |