| SpectraBase Compound ID | 4KzqikWymuB |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-3-8-15-11(13)12(14)16-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
| InChIKey | FBFFNKRXEKOVPD-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUcZBKKRNqR |
|---|---|
| Name | Oxalic acid, 2-methylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-3-8-15-11(13)12(14)16-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
| InChIKey | FBFFNKRXEKOVPD-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1(=C(C=CC=C1)C)OC(C(=O)OCCC)=O |