| SpectraBase Compound ID | HjW1U0Ym91J |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-12(2)10-19-15(17)7-8-16(18)20-11-14-6-4-5-13(3)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3 |
| InChIKey | VIYKYDQMVCWAPE-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 | dAB9jZF2OJ |
|---|---|
| Name | Succinic acid, isobutyl 3-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/c1-12(2)10-19-15(17)7-8-16(18)20-11-14-6-4-5-13(3)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3 |
| InChIKey | VIYKYDQMVCWAPE-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OC(=O)CCC(OCC(C)C)=O)C=1C=CC=C(C)C1 |