| SpectraBase Compound ID | Fd3GlK2AUCI |
|---|---|
| InChI | InChI=1S/C14H28O3/c1-3-4-7-10-14(16)11-8-5-6-9-12-17-13(2)15/h14,16H,3-12H2,1-2H3 |
| InChIKey | LXGXCRJSHAFMJO-UHFFFAOYSA-N |
| Mol Weight | 244.37 g/mol |
| Molecular Formula | C14H28O3 |
| Exact Mass | 244.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AyEebylCfPh |
|---|---|
| Name | 1,7-Dodecanediol, 1-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.203844759 u |
| Formula | C14H28O3 |
| InChI | InChI=1S/C14H28O3/c1-3-4-7-10-14(16)11-8-5-6-9-12-17-13(2)15/h14,16H,3-12H2,1-2H3 |
| InChIKey | LXGXCRJSHAFMJO-UHFFFAOYSA-N |
| Molecular Weight | 244.375 g/mol |
| SMILES | C(=O)(OCCCCCCC(O)CCCCC)C |