| SpectraBase Compound ID | EYacy8ixQD5 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-12(2)10-11-20-16(18)8-9-17(19)21-15-7-5-6-13(3)14(15)4/h5-7,10H,8-9,11H2,1-4H3 |
| InChIKey | PYTPFZOTHJFKTG-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rn2vvXPDpQ |
|---|---|
| Name | Succinic acid, 3-methylbut-2-en-1-yl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-12(2)10-11-20-16(18)8-9-17(19)21-15-7-5-6-13(3)14(15)4/h5-7,10H,8-9,11H2,1-4H3 |
| InChIKey | PYTPFZOTHJFKTG-UHFFFAOYSA-N |
| SMILES | C(CC(OCC=C(C)C)=O)C(OC1=C(C(C)=CC=C1)C)=O |