| SpectraBase Compound ID | EJxOYPAPRlU |
|---|---|
| InChI | InChI=1S/C16H22/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1,4-7H,8,10,12-16H2,2H3/b6-4+,7-5+ |
| InChIKey | FVUBQEJKHLYRQF-YDFGWWAZSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C16H22 |
| Exact Mass | 214.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EV1AsmFc8k9 |
|---|---|
| Name | Callydiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.172150708 u |
| Formula | C16H22 |
| InChI | InChI=1S/C16H22/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1,4-7H,8,10,12-16H2,2H3/b6-4+,7-5+ |
| InChIKey | FVUBQEJKHLYRQF-YDFGWWAZSA-N |
| Molecular Weight | 214.352 g/mol |
| SMILES | C\C=C\CCCCCCCC#C\C=C\C#C |