| SpectraBase Compound ID | 9wmcyv3y1J5 |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-14(20)22-17-12-9-11-16(18(17)23-15(2)21)10-7-5-3-4-6-8-13-19/h9,11-13H,3-8,10H2,1-2H3 |
| InChIKey | ZCMSVCWRPXOFBA-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2K8yuKhWbJL |
|---|---|
| Name | 3-(8-Oxooctyl)catechol diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-14(20)22-17-12-9-11-16(18(17)23-15(2)21)10-7-5-3-4-6-8-13-19/h9,11-13H,3-8,10H2,1-2H3 |
| InChIKey | ZCMSVCWRPXOFBA-UHFFFAOYSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C=1(C(OC(=O)C)=CC=CC1CCCCCCCC=O)OC(=O)C |