| SpectraBase Compound ID | 7XMS2WPVVI |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-16-12(14)8-9-13(15)17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | MKTOWEXZLKTJPS-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pVDeC8LaRx |
|---|---|
| Name | Succinic acid, ethyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-16-12(14)8-9-13(15)17-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | MKTOWEXZLKTJPS-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(CCC(OC=1C(C)=CC=CC1)=O)(OCC)=O |