| SpectraBase Compound ID | It0PZwg6xjU |
|---|---|
| InChI | InChI=1S/C12H16O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14) |
| InChIKey | UGHPWKLKDZLPNM-UHFFFAOYSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C12H16O5 |
| Exact Mass | 240.099774 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 | F71BlqnKLcf |
|---|---|
| Name | 2,4,5-Trimethoxydihydrocinnamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.099773610 u |
| Formula | C12H16O5 |
| InChI | InChI=1S/C12H16O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14) |
| InChIKey | UGHPWKLKDZLPNM-UHFFFAOYSA-N |
| Molecular Weight | 240.255 g/mol |
| SMILES | C(CCC1=C(C=C(C(=C1)OC)OC)OC)(=O)O |