| SpectraBase Compound ID | 3E7oDhDpRrN |
|---|---|
| InChI | InChI=1S/C17H29IO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-9,11-13,15-16H2 |
| InChIKey | STRUYSVSGVJSGQ-UHFFFAOYSA-N |
| Mol Weight | 392.32 g/mol |
| Molecular Formula | C17H29IO2 |
| Exact Mass | 392.121225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bj8xQmJjk6u |
|---|---|
| Name | 12-Iodo-1-(2-tetrahydropyranyloxy)-11-dodecyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.121225172 u |
| Formula | C17H29IO2 |
| InChI | InChI=1S/C17H29IO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-9,11-13,15-16H2 |
| InChIKey | STRUYSVSGVJSGQ-UHFFFAOYSA-N |
| Molecular Weight | 392.321 g/mol |
| SMILES | C(#CCCCCCCCCCCOC1OCCCC1)I |