| SpectraBase Compound ID | 78AY4Bg8b1b |
|---|---|
| InChI | InChI=1S/C18H32O4/c19-17-13-9-5-3-1-2-4-6-10-14-18(20)22-16-12-8-7-11-15-21-17/h1-16H2 |
| InChIKey | VPNRJIKJACGVJW-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HudkN88LbdO |
|---|---|
| Name | Hexanediol dodecanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c19-17-13-9-5-3-1-2-4-6-10-14-18(20)22-16-12-8-7-11-15-21-17/h1-16H2 |
| InChIKey | VPNRJIKJACGVJW-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C1CCCCCCCCCC(OCCCCCCOC1=O)=O |