| SpectraBase Compound ID | 5TW0NuKxA8E |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-13-6-5-7-14(10-13)20-16(18)9-8-15(17)19-11-12(2)3/h5-7,10,12H,4,8-9,11H2,1-3H3 |
| InChIKey | MXXHTADTJURPEF-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 | KMOC25Geng4 |
|---|---|
| Name | Succinic acid, 3-ethylphenyl 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/c1-4-13-6-5-7-14(10-13)20-16(18)9-8-15(17)19-11-12(2)3/h5-7,10,12H,4,8-9,11H2,1-3H3 |
| InChIKey | MXXHTADTJURPEF-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CC(OC1=CC=CC(CC)=C1)=O)C(OCC(C)C)=O |