| SpectraBase Compound ID | AtDdpnEYAsu |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-15-10-6-7-11(16-2)9(8-10)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | KDKKXQVDSWSPEE-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6rn1d7zwnXo |
|---|---|
| Name | 4-(2,5-Dimethoxyphenyl)butyric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-15-10-6-7-11(16-2)9(8-10)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | KDKKXQVDSWSPEE-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | COC1=C(C=C(C=C1)OC)CCCC(=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.711426 |