| SpectraBase Compound ID | FrKcZ3IDy3K |
|---|---|
| InChI | InChI=1S/C14H18O6/c1-3-8-17-13(15)19-11-6-5-7-12(10-11)20-14(16)18-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3 |
| InChIKey | XCOWOSKFFOTZDK-UHFFFAOYSA-N |
| Mol Weight | 282.29 g/mol |
| Molecular Formula | C14H18O6 |
| Exact Mass | 282.110338 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jzmug0iY42P |
|---|---|
| Name | 1,3-Benzenediol, o,o'-dipropoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.110338294 u |
| Formula | C14H18O6 |
| InChI | InChI=1S/C14H18O6/c1-3-8-17-13(15)19-11-6-5-7-12(10-11)20-14(16)18-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3 |
| InChIKey | XCOWOSKFFOTZDK-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(=C1)OC(OCCC)=O)OC(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894238 |