| SpectraBase Compound ID | 3bl1LRag10N |
|---|---|
| InChI | InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14) |
| InChIKey | XCEGAEUDHJEYRY-UHFFFAOYSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C12H14O5 |
| Exact Mass | 238.084124 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AbELJHMxdqb |
|---|---|
| Name | 2,4,5-Trimethoxycinnamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.084123546 u |
| Formula | C12H14O5 |
| InChI | InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14) |
| InChIKey | XCEGAEUDHJEYRY-UHFFFAOYSA-N |
| Molecular Weight | 238.239 g/mol |
| SMILES | OC(C=CC1=CC(=C(C=C1OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.924606 |