| SpectraBase Compound ID | HZmQf3auxBa |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-4-7-16-12(13)9-5-6-10(14-2)11(8-9)15-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | XZFLUIAREMTFFB-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8b8fiNPgpYn |
|---|---|
| Name | Propyl vanillate, methyl ether |
| 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/c1-4-7-16-12(13)9-5-6-10(14-2)11(8-9)15-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | XZFLUIAREMTFFB-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(C1=CC(OC)=C(OC)C=C1)(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958784 |