| SpectraBase Compound ID | 88yDTnhXRvX |
|---|---|
| InChI | InChI=1S/C17H22/c1-3-5-6-7-8-9-13-17-15-11-10-14-16(17)12-4-2/h4,10-12,14-15H,3,5-8H2,1-2H3/b12-4- |
| InChIKey | MIMDGABQWCSDGV-QCDXTXTGSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C17H22 |
| Exact Mass | 226.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjIoChcpwpb |
|---|---|
| Name | Octynylpropenylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.172150708 u |
| Formula | C17H22 |
| InChI | InChI=1S/C17H22/c1-3-5-6-7-8-9-13-17-15-11-10-14-16(17)12-4-2/h4,10-12,14-15H,3,5-8H2,1-2H3/b12-4- |
| InChIKey | MIMDGABQWCSDGV-QCDXTXTGSA-N |
| Molecular Weight | 226.363 g/mol |
| SMILES | C=1(C(=CC=CC1)C#CCCCCCC)\C=C/C |