| SpectraBase Compound ID | 3dYLIN6wlTe |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-11-19-15(17)9-10-16(18)20-12-14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | LDLNRMJAGPFQKZ-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 | 6nRv5TZ3pyW |
|---|---|
| Name | Succinic acid, butyl 4-methylbenzyl 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/c1-3-4-11-19-15(17)9-10-16(18)20-12-14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | LDLNRMJAGPFQKZ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CCC(OCC=1C=CC(=CC1)C)=O)(OCCCC)=O |