| SpectraBase Compound ID | H8CTvOFtHxh |
|---|---|
| InChI | InChI=1S/C27H34O2/c1-2-3-4-5-6-7-8-9-10-16-23-29-27(28)26-20-15-14-19-25(26)22-21-24-17-12-11-13-18-24/h11-15,17-20H,2-10,16,23H2,1H3 |
| InChIKey | HITZCCCERCPXKB-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C27H34O2 |
| Exact Mass | 390.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJutsQR2Ywd |
|---|---|
| Name | Dodecyl 2-(phenylethynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.255880333 u |
| Formula | C27H34O2 |
| InChI | InChI=1S/C27H34O2/c1-2-3-4-5-6-7-8-9-10-16-23-29-27(28)26-20-15-14-19-25(26)22-21-24-17-12-11-13-18-24/h11-15,17-20H,2-10,16,23H2,1H3 |
| InChIKey | HITZCCCERCPXKB-UHFFFAOYSA-N |
| Molecular Weight | 390.567 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C=1C(C(=O)OCCCCCCCCCCCC)=CC=CC1 |