| SpectraBase Compound ID | HrQZAzcuKsi |
|---|---|
| InChI | InChI=1S/C16H18O8/c1-5-6-21-16(20)12-7-13(22-9(2)17)15(24-11(4)19)14(8-12)23-10(3)18/h7-8H,5-6H2,1-4H3 |
| InChIKey | SZGQQTUWXGYOOA-UHFFFAOYSA-N |
| Mol Weight | 338.31 g/mol |
| Molecular Formula | C16H18O8 |
| Exact Mass | 338.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nFHttI8BAD |
|---|---|
| Name | Propyl 3,4,5-triacetoxybenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.100167532 u |
| Formula | C16H18O8 |
| InChI | InChI=1S/C16H18O8/c1-5-6-21-16(20)12-7-13(22-9(2)17)15(24-11(4)19)14(8-12)23-10(3)18/h7-8H,5-6H2,1-4H3 |
| InChIKey | SZGQQTUWXGYOOA-UHFFFAOYSA-N |
| Molecular Weight | 338.312 g/mol |
| SMILES | C1(=C(C(OC(=O)C)=CC(=C1)C(=O)OCCC)OC(=O)C)OC(C)=O |