| SpectraBase Compound ID | Ahbq3U4Zd3y |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-13(2)6-5-11-21-17(19)9-10-18(20)22-16-8-7-14(3)15(4)12-16/h7-8,12-13H,5-6,9-11H2,1-4H3 |
| InChIKey | OACOVDFJBNWKRX-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCsbjbOKzwH |
|---|---|
| Name | Succinic acid, 3,4-dimethylphenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-13(2)6-5-11-21-17(19)9-10-18(20)22-16-8-7-14(3)15(4)12-16/h7-8,12-13H,5-6,9-11H2,1-4H3 |
| InChIKey | OACOVDFJBNWKRX-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC(C)CCCOC(CCC(OC1=CC=C(C(=C1)C)C)=O)=O |