| SpectraBase Compound ID | 2TisojbLoqR |
|---|---|
| InChI | InChI=1S/C13H16O6/c1-8(2)18-13(15)19-11-7-9(12(14)17-4)5-6-10(11)16-3/h5-8H,1-4H3 |
| InChIKey | UYJFHUQEELFIHO-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2HEtgCVAuXt |
|---|---|
| Name | Isovanillic acid, o-(isopropyloxycarbonyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c1-8(2)18-13(15)19-11-7-9(12(14)17-4)5-6-10(11)16-3/h5-8H,1-4H3 |
| InChIKey | UYJFHUQEELFIHO-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C(=C1)OC(OC(C)C)=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96244 |