| SpectraBase Compound ID | FvgLK3xsGjW |
|---|---|
| InChI | InChI=1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2 |
| InChIKey | DNUPYEDSAQDUSO-UHFFFAOYSA-N |
| Mol Weight | 210.23 g/mol |
| Molecular Formula | C11H14O4 |
| Exact Mass | 210.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6i8cCGupOON |
|---|---|
| Name | Diethylene-glycol-monobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.089208927 u |
| Formula | C11H14O4 |
| InChI | InChI=1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2 |
| InChIKey | DNUPYEDSAQDUSO-UHFFFAOYSA-N |
| Molecular Weight | 210.229 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)OCCOCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921243 |