| SpectraBase Compound ID | GPRtDtJ58tD |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+ |
| InChIKey | AUJXJFHANFIVKH-GQCTYLIASA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GCDoZq3z4jR |
|---|---|
| Name | Trans-methyl-ferulate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+ |
| InChIKey | AUJXJFHANFIVKH-GQCTYLIASA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C(=O)(OC)\C=C\C1=CC(=C(O)C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972407 |