| SpectraBase Compound ID | 1V4BkcY9WVu |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-11(2)10-19-15(17)8-9-16(18)20-14-7-5-6-12(3)13(14)4/h5-7,11H,8-10H2,1-4H3 |
| InChIKey | LRNXBYPGZPCXKY-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LbHpo0Qp32 |
|---|---|
| Name | Succinic acid, 2,3-dimethylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-11(2)10-19-15(17)8-9-16(18)20-14-7-5-6-12(3)13(14)4/h5-7,11H,8-10H2,1-4H3 |
| InChIKey | LRNXBYPGZPCXKY-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CC(OC1=C(C(C)=CC=C1)C)=O)C(OCC(C)C)=O |