| SpectraBase Compound ID | 8wVTleUMYUT |
|---|---|
| InChI | InChI=1S/C20H34O2/c21-19(13-7-3-1-4-8-14-19)17-11-12-18-20(22)15-9-5-2-6-10-16-20/h21-22H,1-10,13-18H2 |
| InChIKey | BDTRZCVJRZBVLB-UHFFFAOYSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dhc4IqItEy5 |
|---|---|
| Name | 1,4-bis(1-Hydroxycyclooctyl)-2-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c21-19(13-7-3-1-4-8-14-19)17-11-12-18-20(22)15-9-5-2-6-10-16-20/h21-22H,1-10,13-18H2 |
| InChIKey | BDTRZCVJRZBVLB-UHFFFAOYSA-N |
| SMILES | C(#CCC1(O)CCCCCCC1)CC1(O)CCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901711 |