| SpectraBase Compound ID | BRDghgc63fD |
|---|---|
| InChI | InChI=1S/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | XFDQLDNQZFOAFK-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JwekiouP7Jy |
|---|---|
| Name | Ethylene glycol, dibenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | XFDQLDNQZFOAFK-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)C(=O)OCCOC(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.934822 |