| SpectraBase Compound ID | 2TI02nGiJk5 |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-10(2)6-7-21-16(18)12-8-13(19-4)15(22-11(3)17)14(9-12)20-5/h8-10H,6-7H2,1-5H3 |
| InChIKey | QMBLXTZMAXXMIB-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3ttEaoT3sEg |
|---|---|
| Name | Acetyl syringic acid, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-10(2)6-7-21-16(18)12-8-13(19-4)15(22-11(3)17)14(9-12)20-5/h8-10H,6-7H2,1-5H3 |
| InChIKey | QMBLXTZMAXXMIB-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C1(=C(C(=CC(=C1)C(OCCC(C)C)=O)OC)OC(C)=O)OC |