| SpectraBase Compound ID | 9EkG01Z4gbL |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3 |
| InChIKey | BQFPCTXLBRVFJL-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | niH7fWgNEg |
|---|---|
| Name | Orthobenzoic acid, triethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3 |
| InChIKey | BQFPCTXLBRVFJL-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C=1C=C(C=CC1)C(OCC)(OCC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.975926 |