| SpectraBase Compound ID | 3ngeyAebuLg |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-2-21-12-13-22-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | GPEUNFZHVLTNRV-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5hIzbqqNeWK |
|---|---|
| Name | o-Benzoylbenzoic acid, 2-ethoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-2-21-12-13-22-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | GPEUNFZHVLTNRV-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=CC1)C(C=1C=CC=CC1C(OCCOCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969239 |