| SpectraBase Compound ID | 21VsFyQTkBr |
|---|---|
| InChI | InChI=1S/C11H12O4/c12-11(9-4-2-1-3-5-9)15-10-6-13-8-14-7-10/h1-5,10H,6-8H2 |
| InChIKey | GSAPYSIZQBMGIQ-UHFFFAOYSA-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 | AWzHUyMCIXu |
|---|---|
| Name | Benzoic acid, 1,3-dioxan-5-yl ester |
| 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/c12-11(9-4-2-1-3-5-9)15-10-6-13-8-14-7-10/h1-5,10H,6-8H2 |
| InChIKey | GSAPYSIZQBMGIQ-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1OCC(CO1)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958933 |