| SpectraBase Compound ID | 6O0wlF9jHu6 |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-17(2,3)12-7-10(11(16(22)23)9-14(19)20)8-13(15(12)21)18(4,5)6/h7-8,11,21H,9H2,1-6H3,(H,19,20)(H,22,23) |
| InChIKey | JMEYFIUFQCILFA-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0qdbwHLYbx |
|---|---|
| Name | 2-(3,5-Ditert-butyl-4-hydroxyphenyl)succinic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-17(2,3)12-7-10(11(16(22)23)9-14(19)20)8-13(15(12)21)18(4,5)6/h7-8,11,21H,9H2,1-6H3,(H,19,20)(H,22,23) |
| InChIKey | JMEYFIUFQCILFA-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | OC(C(CC(=O)O)C1=CC(=C(C(C(C)(C)C)=C1)O)C(C)(C)C)=O |