| SpectraBase Compound ID | VxlFv6XucU |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-21-15-10-9-13(16(22-2)17(15)23-3)11-14(18(19)20)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)/b14-11+ |
| InChIKey | BKHPZUVCVKMLHV-SDNWHVSQSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGt918PrV1k |
|---|---|
| Name | Trans-2-phenyl-3-(2,3,4-trimethoxyphenyl)acrylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-21-15-10-9-13(16(22-2)17(15)23-3)11-14(18(19)20)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)/b14-11+ |
| InChIKey | BKHPZUVCVKMLHV-SDNWHVSQSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | OC(\C(=C\C1=CC=C(C(=C1OC)OC)OC)C=1C=CC=CC1)=O |