| SpectraBase Compound ID | BhhIBSUJ7kO |
|---|---|
| InChI | InChI=1S/C11H12O5/c1-7(13)16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-6H,1-3H3 |
| InChIKey | CSWKYHGBYCNZAS-UHFFFAOYSA-N |
| Mol Weight | 224.21 g/mol |
| Molecular Formula | C11H12O5 |
| Exact Mass | 224.068473 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8mAtzHv70h0 |
|---|---|
| Name | Acetic acid (4-formyl-2,6-dimethoxy-phenyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.068473481 u |
| Formula | C11H12O5 |
| InChI | InChI=1S/C11H12O5/c1-7(13)16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-6H,1-3H3 |
| InChIKey | CSWKYHGBYCNZAS-UHFFFAOYSA-N |
| Molecular Weight | 224.212 g/mol |
| SMILES | C=1(OC(=O)C)C(=CC(=CC1OC)C=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.988403 |