| SpectraBase Compound ID | Bv1houNIrZ4 |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-5-6-7-8-12-17-26-22(24)13-10-9-11-14-23(25)27-21-18-19(2)15-16-20(21)3/h15-16,18H,4-14,17H2,1-3H3 |
| InChIKey | SDUOHXXNKVCDDS-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lTzDlpoqhl |
|---|---|
| Name | Pimelic acid, 2,5-dimethylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-4-5-6-7-8-12-17-26-22(24)13-10-9-11-14-23(25)27-21-18-19(2)15-16-20(21)3/h15-16,18H,4-14,17H2,1-3H3 |
| InChIKey | SDUOHXXNKVCDDS-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(CCCC(OCCCCCCCC)=O)CC(OC=1C(C)=CC=C(C)C1)=O |