| SpectraBase Compound ID | CxeSueyTLvI |
|---|---|
| InChI | InChI=1S/C12H14O5/c1-3-15-11(13)9-5-7-10(8-6-9)17-12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | XJFMZLYURKGANS-UHFFFAOYSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C12H14O5 |
| Exact Mass | 238.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NdvnSE6Zkt |
|---|---|
| Name | 4-Hydroxybenzoic acid, o-ethoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.084123546 u |
| Formula | C12H14O5 |
| InChI | InChI=1S/C12H14O5/c1-3-15-11(13)9-5-7-10(8-6-9)17-12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | XJFMZLYURKGANS-UHFFFAOYSA-N |
| Molecular Weight | 238.239 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCC)OC(OCC)=O |